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"inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_16118-49-3", "concept:AMRQXHFXNZFDCH-VIFPVBQESA-N" ], "notation": "carbtAd", "prefLabel": "carbetamide", "semanticRelation": [ "wise:CAS_16118-49-3", "concept:AMRQXHFXNZFDCH-VIFPVBQESA-N" ] }, { "id": "concept:AQHHHDLHHXJYJD-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "13013-17-7", "525-66-6" ], "dbo:formula": "C16H21NO2", "dbo:inchi": "InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3", "iupacName": "1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol", "pubchem": "4946", "dbo:smiles": "CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O", "dbp:inchikey": "AQHHHDLHHXJYJD-UHFFFAOYSA-N", "seeAlso": "compound:4946", "altLabel": "propranolol", "closeMatch": [ "wise:CAS_525-66-6", "concept:AQHHHDLHHXJYJD-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_525-66-6", "concept:AQHHHDLHHXJYJD-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_525-66-6", "concept:AQHHHDLHHXJYJD-UHFFFAOYSA-N" ], "notation": "propnll", "prefLabel": "propanolol", "semanticRelation": [ "wise:CAS_525-66-6", "concept:AQHHHDLHHXJYJD-UHFFFAOYSA-N" ] }, { "id": "concept:ARERIMFZYPFJAV-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "115633-92-6", "40088-47-9", "82458-12-6" ], "dbo:formula": "C12H6Br4O", "dbo:inchi": "InChI=1S/C12H6Br4O/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6H", "iupacName": "1,2,3-tribromo-4-(4-bromophenoxy)benzene", "pubchem": "38386", "dbo:smiles": "C1=CC(=CC=C1OC2=C(C(=C(C=C2)Br)Br)Br)Br", "dbp:inchikey": "ARERIMFZYPFJAV-UHFFFAOYSA-N", "seeAlso": "compound:38386", "closeMatch": [ "wise:CAS_40088-47-9", "concept:ARERIMFZYPFJAV-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_40088-47-9", "concept:ARERIMFZYPFJAV-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_40088-47-9", "concept:ARERIMFZYPFJAV-UHFFFAOYSA-N" ], "prefLabel": "tetrabroomdifenylether", "semanticRelation": [ "wise:CAS_40088-47-9", "concept:ARERIMFZYPFJAV-UHFFFAOYSA-N" ] }, { "id": "concept:ATBAMAFKBVZNFJ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "7440-41-7", "dbo:formula": "Be", "dbo:inchi": "InChI=1S/Be", "iupacName": "BERYLLIUM", "pubchem": "5460467", "dbo:smiles": "[Be]", "dbp:inchikey": "ATBAMAFKBVZNFJ-UHFFFAOYSA-N", "seeAlso": "compound:5460467", "closeMatch": [ "wise:CAS_7440-41-7", "concept:ATBAMAFKBVZNFJ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_7440-41-7", "concept:ATBAMAFKBVZNFJ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7440-41-7", "concept:ATBAMAFKBVZNFJ-UHFFFAOYSA-N" ], "notation": "Be", "prefLabel": "beryllium", "semanticRelation": [ "wise:CAS_7440-41-7", "concept:ATBAMAFKBVZNFJ-UHFFFAOYSA-N" ] }, { "id": "concept:ATJFFYVFTNAWJD-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "7440-31-5", "dbo:formula": "Sn", "dbo:inchi": "InChI=1S/Sn", "iupacName": "TIN", "pubchem": "5352426", "dbo:smiles": "[Sn]", "dbp:inchikey": "ATJFFYVFTNAWJD-UHFFFAOYSA-N", "comment": [ "VLAR II D5 'tin en tinverbindingen, uitgedrukt als tin (Sn)'", "VLAR II bijl. 4.4.2 'tin en zijn verbindingen, uitgedrukt in Sn'", "VLAR III (D3) 'tinverbindingen, met inbegrip van organotinverbindingen, uitgedrukt als Sn'", "VLAR III (D3, diverse art) 'Sn'" ], "seeAlso": "compound:5352426", "altLabel": "Tin (Sn)", "closeMatch": [ "wise:CAS_7440-31-5", "concept:ATJFFYVFTNAWJD-UHFFFAOYSA-N" ], "definition": "tin en tinverbindingen, uitgedrukt als tin (Sn)", "exactMatch": [ "wise:CAS_7440-31-5", "concept:ATJFFYVFTNAWJD-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7440-31-5", "concept:ATJFFYVFTNAWJD-UHFFFAOYSA-N" ], "notation": "Sn", "note": "tin en tinverbindingen, uitgedrukt als tin (Sn)", "prefLabel": "tin", "semanticRelation": [ "wise:CAS_7440-31-5", "concept:ATJFFYVFTNAWJD-UHFFFAOYSA-N" ] }, { "id": "concept:ATROHALUCMTWTB-WYMLVPIESA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "14816-18-3", "dbo:formula": "C12H15N2O3PS", "dbo:inchi": "InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+", "iupacName": "N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide", "pubchem": "9570290", "dbo:smiles": "CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1", "dbp:inchikey": "ATROHALUCMTWTB-WYMLVPIESA-N", "seeAlso": "compound:9570290", "closeMatch": [ "wise:CAS_14816-18-3", "concept:ATROHALUCMTWTB-WYMLVPIESA-N" ], "exactMatch": [ "wise:CAS_14816-18-3", "concept:ATROHALUCMTWTB-WYMLVPIESA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_14816-18-3", "concept:ATROHALUCMTWTB-WYMLVPIESA-N" ], "notation": "fOxm", "prefLabel": "foxim", "semanticRelation": [ "wise:CAS_14816-18-3", "concept:ATROHALUCMTWTB-WYMLVPIESA-N" ] }, { "id": "concept:AUHZEENZYGFFBQ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "108-67-8", "dbo:formula": "C9H12", "dbo:inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3", "iupacName": "1,3,5-Trimethylbenzene", "pubchem": "7947", "dbo:smiles": "CC1=CC(=CC(=C1)C)C", "dbp:inchikey": "AUHZEENZYGFFBQ-UHFFFAOYSA-N", "comment": "VLAR II bijl. 4.4.2 'trimethylbenzeen'", "seeAlso": "compound:7947", "closeMatch": [ "wise:CAS_108-67-8", "concept:AUHZEENZYGFFBQ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_108-67-8", "concept:AUHZEENZYGFFBQ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_108-67-8", "concept:AUHZEENZYGFFBQ-UHFFFAOYSA-N" ], "notation": "135TC1yBen", "prefLabel": "1,3,5-trimethylbenzeen", "semanticRelation": [ "wise:CAS_108-67-8", "concept:AUHZEENZYGFFBQ-UHFFFAOYSA-N" ] }, { "id": "concept:AVYGCQXNNJPXSS-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "95-82-9", "dbo:formula": "C6H5Cl2N", "dbo:inchi": "InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2", "iupacName": "2,5-Dichloroaniline", "pubchem": "7262", "dbo:smiles": "C1=CC(=C(C=C1Cl)N)Cl", "dbp:inchikey": "AVYGCQXNNJPXSS-UHFFFAOYSA-N", "seeAlso": "compound:7262", "closeMatch": [ "wise:CAS_95-82-9", "concept:AVYGCQXNNJPXSS-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_95-82-9", "concept:AVYGCQXNNJPXSS-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_95-82-9", "concept:AVYGCQXNNJPXSS-UHFFFAOYSA-N" ], "notation": "25DClAn", "prefLabel": "2,5-dichlooraniline", "semanticRelation": [ "wise:CAS_95-82-9", "concept:AVYGCQXNNJPXSS-UHFFFAOYSA-N" ] }, { "id": "concept:AYOHIQLKSOJJQH-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "1002-53-5", "dbo:formula": "C8H18Sn", "dbo:inchi": "InChI=1S/2C4H9.Sn/c2*1-3-4-2;/h2*1,3-4H2,2H3;", "iupacName": "dibutyltin", "pubchem": "6484", "dbo:smiles": "CCCC[Sn]CCCC", "dbp:inchikey": "AYOHIQLKSOJJQH-UHFFFAOYSA-N", "seeAlso": "compound:6484", "closeMatch": [ "wise:CAS_1002-53-5", "concept:AYOHIQLKSOJJQH-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_1002-53-5", "concept:AYOHIQLKSOJJQH-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_1002-53-5", "concept:AYOHIQLKSOJJQH-UHFFFAOYSA-N" ], "prefLabel": "dibutyltin", "semanticRelation": [ "wise:CAS_1002-53-5", "concept:AYOHIQLKSOJJQH-UHFFFAOYSA-N" ] }, { "id": "concept:AZXHAWRMEPZSSV-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "52663-72-6", "dbo:formula": "C12H4Cl6", "dbo:inchi": "InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H", "iupacName": "1,2,3-trichloro-5-(2,4,5-trichlorophenyl)benzene", "pubchem": "40479", "dbo:smiles": "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl", "dbp:inchikey": "AZXHAWRMEPZSSV-UHFFFAOYSA-N", "comment": "VLAR III (D3) 'dioxineachtige PCB's'", "seeAlso": "compound:40479", "altLabel": [ "2,3',4,4',5,5'-hexachloorbifenyl (pcb167)", "2,3',4,4',5,5'-hexachloorbifenyl", "PCB 167" ], "closeMatch": [ "wise:CAS_52663-72-6", "concept:AZXHAWRMEPZSSV-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_52663-72-6", "concept:AZXHAWRMEPZSSV-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_52663-72-6", "concept:AZXHAWRMEPZSSV-UHFFFAOYSA-N" ], "notation": "PCB167", "prefLabel": "pcb 167", "semanticRelation": [ "wise:CAS_52663-72-6", "concept:AZXHAWRMEPZSSV-UHFFFAOYSA-N" ] }, { "id": "concept:BBEAQIROQSPTKN-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "129-00-0", "76165-23-6" ], "dbo:formula": "C16H10", "dbo:inchi": "InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H", "iupacName": "PYRENE", "pubchem": "31423", "dbo:smiles": "C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2", "dbp:inchikey": "BBEAQIROQSPTKN-UHFFFAOYSA-N", "seeAlso": "compound:31423", "closeMatch": [ "wise:CAS_129-00-0", "concept:BBEAQIROQSPTKN-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_129-00-0", "concept:BBEAQIROQSPTKN-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_129-00-0", "concept:BBEAQIROQSPTKN-UHFFFAOYSA-N" ], "notation": "Pyr", "prefLabel": "pyreen", "semanticRelation": [ "wise:CAS_129-00-0", "concept:BBEAQIROQSPTKN-UHFFFAOYSA-N" ] }, { "id": "concept:BFCFYVKQTRLZHA-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "25167-93-5", "88-73-3" ], "dbo:formula": "C6H4ClNO2", "dbo:inchi": "InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H", "iupacName": "1-Chloro-2-nitrobenzene", "pubchem": "6945", "dbo:smiles": "C1=CC=C(C(=C1)[N+](=O)[O-])Cl", "dbp:inchikey": "BFCFYVKQTRLZHA-UHFFFAOYSA-N", "seeAlso": "compound:6945", "altLabel": "1-chloor-2-nitrobenzeen", "closeMatch": [ "wise:CAS_88-73-3", "concept:BFCFYVKQTRLZHA-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_88-73-3", "concept:BFCFYVKQTRLZHA-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_88-73-3", "concept:BFCFYVKQTRLZHA-UHFFFAOYSA-N" ], "notation": [ "1Cl2NO2Ben", "ClNO2Ben" ], "prefLabel": "chloornitrobenzeen", "semanticRelation": [ "wise:CAS_88-73-3", "concept:BFCFYVKQTRLZHA-UHFFFAOYSA-N" ] }, { "id": "concept:BFPYWIDHMRZLRN-SLHNCBLASA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "57-63-6", "77538-56-8" ], "dbo:formula": "C20H24O2", "dbo:inchi": "InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1", "iupacName": "(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol", "pubchem": "5991", "dbo:smiles": "CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O", "dbp:inchikey": "BFPYWIDHMRZLRN-SLHNCBLASA-N", "seeAlso": "compound:5991", "altLabel": "ethinylestradiol", "closeMatch": [ "wise:CAS_57-63-6", "concept:BFPYWIDHMRZLRN-SLHNCBLASA-N" ], "exactMatch": [ "wise:CAS_57-63-6", "concept:BFPYWIDHMRZLRN-SLHNCBLASA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_57-63-6", "concept:BFPYWIDHMRZLRN-SLHNCBLASA-N" ], "notation": "etnetDol", "prefLabel": "17-alfa-ethinylestradiol", "semanticRelation": [ "wise:CAS_57-63-6", "concept:BFPYWIDHMRZLRN-SLHNCBLASA-N" ] }, { "id": "concept:BHWVLZJTVIYLIV-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "70362-50-4", "dbo:formula": "C12H6Cl4", "dbo:inchi": "InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H", "iupacName": "1,2,3-trichloro-5-(4-chlorophenyl)benzene", "pubchem": "51043", "dbo:smiles": "C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl", "dbp:inchikey": "BHWVLZJTVIYLIV-UHFFFAOYSA-N", "comment": "VLAR III (D3) 'dioxineachtige PCB's'", "seeAlso": "compound:51043", "altLabel": [ "3,4,4',5-tetrachloorbifenyl (pcb81)", "3,4,4',5-tetrachlorobifenyl", "pcb 81" ], "closeMatch": [ "wise:CAS_70362-50-4", "concept:BHWVLZJTVIYLIV-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_70362-50-4", "concept:BHWVLZJTVIYLIV-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_70362-50-4", "concept:BHWVLZJTVIYLIV-UHFFFAOYSA-N" ], "notation": "PCB81", "prefLabel": "PCB 81", "semanticRelation": [ "wise:CAS_70362-50-4", "concept:BHWVLZJTVIYLIV-UHFFFAOYSA-N" ] }, { "id": "concept:BIWJNBZANLAXMG-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "12789-03-6", "17436-70-3", "22212-52-8", "26703-86-6", "28140-46-7", "28181-89-7", "33442-85-2", "39400-80-1", "5103-71-9", "5103-74-2", "52002-35-4", "52917-96-1", "53637-13-1", "57-74-9", "67672-92-8" ], "dbo:formula": "C10H6Cl8", "dbo:inchi": "InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2", "iupacName": "1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene", "pubchem": "5993", "dbo:smiles": "C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "BIWJNBZANLAXMG-UHFFFAOYSA-N", "seeAlso": "compound:5993", "altLabel": [ "cis-chloordaan trans-chloordaan", "cis-chloordaan", "trans-chloordaan" ], "closeMatch": [ "wise:CAS_5103-71-9", "wise:CAS_5103-74-2", "wise:CAS_57-74-9", "concept:BIWJNBZANLAXMG-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_5103-71-9", "wise:CAS_5103-74-2", "wise:CAS_57-74-9", "concept:BIWJNBZANLAXMG-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_5103-71-9", "wise:CAS_5103-74-2", "wise:CAS_57-74-9", "concept:BIWJNBZANLAXMG-UHFFFAOYSA-N" ], "notation": [ "Cldn", "cCldn", "tCldn" ], "prefLabel": "chloordaan", "semanticRelation": [ "wise:CAS_5103-71-9", "wise:CAS_5103-74-2", "wise:CAS_57-74-9", "concept:BIWJNBZANLAXMG-UHFFFAOYSA-N" ] }, { "id": "concept:BIXZHMJUSMUDOQ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "58916-70-4", "99-30-9" ], "dbo:formula": "C6H4Cl2N2O2", "dbo:inchi": "InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2", "iupacName": "2,6-Dichloro-4-nitroaniline", "pubchem": "7430", "dbo:smiles": "C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]", "dbp:inchikey": "BIXZHMJUSMUDOQ-UHFFFAOYSA-N", "seeAlso": "compound:7430", "closeMatch": [ "wise:CAS_99-30-9", "concept:BIXZHMJUSMUDOQ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_99-30-9", "concept:BIXZHMJUSMUDOQ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_99-30-9", "concept:BIXZHMJUSMUDOQ-UHFFFAOYSA-N" ], "notation": "26DCl4NO2An", "prefLabel": "2,6-dichloor-4-nitroaniline", "semanticRelation": [ "wise:CAS_99-30-9", "concept:BIXZHMJUSMUDOQ-UHFFFAOYSA-N" ] }, { "id": "concept:BJQHLKABXJIVAM-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "117-81-7", "126639-29-0", "137718-37-7", "15495-94-0", "205180-59-2", "275818-89-8", "40120-69-2", "50885-87-5", "8033-53-2", "82208-43-3" ], "dbo:formula": "C24H38O4", "dbo:inchi": "InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3", "iupacName": "bis(2-ethylhexyl) benzene-1,2-dicarboxylate", "pubchem": "8343", "dbo:smiles": "CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC", "dbp:inchikey": "BJQHLKABXJIVAM-UHFFFAOYSA-N", "seeAlso": "compound:8343", "altLabel": [ "bis(2-ethylhexyl)ftalaat (DEHP)", "bis-(2-ethylhexyl)-ftalaat", "di(2-ethylhexyl)-ftalaat (dehp)" ], "closeMatch": [ "wise:CAS_117-81-7", "concept:BJQHLKABXJIVAM-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_117-81-7", "concept:BJQHLKABXJIVAM-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_117-81-7", "concept:BJQHLKABXJIVAM-UHFFFAOYSA-N" ], "notation": "DEHP", "prefLabel": "bis(2-ethylhexyl)ftalaat (dehp)", "semanticRelation": [ "wise:CAS_117-81-7", "concept:BJQHLKABXJIVAM-UHFFFAOYSA-N" ] }, { "id": "concept:BKVIYDNLLOSFOA-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "113835-49-7", "7440-28-0", "82870-81-3" ], "dbo:formula": "Tl", "dbo:inchi": "InChI=1S/Tl", "iupacName": "THALLIUM", "pubchem": "5359464", "dbo:smiles": "[Tl]", "dbp:inchikey": "BKVIYDNLLOSFOA-UHFFFAOYSA-N", "comment": [ "VLAR II (D5) 'thallium en thalliumverbindingen, uitgedrukt als thallium'", "VLAR II bijl. 2.5.2 'thallium'", "VLAR II bijl. 4.4.2 'thallium en zijn verbindingen, uitgedrukt in Se'", "VLAR III (D3) 'thallium en de verbindingen daarvan, uitgedrukt als thallium (Tl)", "VLAR III (D3, diverse art) 'Tl'" ], "seeAlso": "compound:5359464", "closeMatch": [ "wise:CAS_7440-28-0", "concept:BKVIYDNLLOSFOA-UHFFFAOYSA-N" ], "definition": "thallium en thalliumverbindingen, uitgedrukt als thallium (Tl)", "exactMatch": [ "wise:CAS_7440-28-0", "concept:BKVIYDNLLOSFOA-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7440-28-0", "concept:BKVIYDNLLOSFOA-UHFFFAOYSA-N" ], "notation": "Tl", "note": "thallium en thalliumverbindingen, uitgedrukt als thallium (Tl)", "prefLabel": "thallium", "semanticRelation": [ "wise:CAS_7440-28-0", "concept:BKVIYDNLLOSFOA-UHFFFAOYSA-N" ] }, { "id": "concept:BMLIZLVNXIYGCK-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "150-68-5", "dbo:formula": "C9H11ClN2O", "dbo:inchi": "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)", "iupacName": "3-(4-Chlorophenyl)-1,1-dimethylurea", "pubchem": "8800", "dbo:smiles": "CN(C)C(=O)NC1=CC=C(C=C1)Cl", "dbp:inchikey": "BMLIZLVNXIYGCK-UHFFFAOYSA-N", "seeAlso": "compound:8800", "closeMatch": [ "wise:CAS_150-68-5", "concept:BMLIZLVNXIYGCK-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_150-68-5", "concept:BMLIZLVNXIYGCK-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_150-68-5", "concept:BMLIZLVNXIYGCK-UHFFFAOYSA-N" ], "notation": "monrn", "prefLabel": "monuron", "semanticRelation": [ "wise:CAS_150-68-5", "concept:BMLIZLVNXIYGCK-UHFFFAOYSA-N" ] }, { "id": "concept:BQCADISMDOOEFD-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "12553-68-3", "15046-91-0", "7440-22-4", "87354-45-8", "87370-84-1" ], "dbo:formula": "Ag", "dbo:inchi": "InChI=1S/Ag", "iupacName": "Silver", "pubchem": "23954", "dbo:smiles": "[Ag]", "dbp:inchikey": "BQCADISMDOOEFD-UHFFFAOYSA-N", "seeAlso": "compound:23954", "closeMatch": [ "wise:CAS_7440-22-4", "concept:BQCADISMDOOEFD-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_7440-22-4", "concept:BQCADISMDOOEFD-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7440-22-4", "concept:BQCADISMDOOEFD-UHFFFAOYSA-N" ], "notation": "Ag", "prefLabel": "zilver", "semanticRelation": [ "wise:CAS_7440-22-4", "concept:BQCADISMDOOEFD-UHFFFAOYSA-N" ] }, { "id": "concept:BRLQWZUYTZBJKN-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "106-89-8", "109351-74-8", "13403-37-7", "36250-81-4", "56227-39-5", "6806-86-6", "9009-12-5" ], "dbo:formula": "C3H5ClO", "dbo:inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2", "iupacName": "2-(Chloromethyl)oxirane", "pubchem": "7835", "dbo:smiles": "C1C(O1)CCl", "dbp:inchikey": "BRLQWZUYTZBJKN-UHFFFAOYSA-N", "comment": "VLAREM II bijlage 4.4.2", "seeAlso": "compound:7835", "altLabel": [ "1-chloor-2,3-epoxypropaan(epichloorhydrine)", "epichloorhydrine" ], "closeMatch": [ "wise:CAS_106-89-8", "concept:BRLQWZUYTZBJKN-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_106-89-8", "concept:BRLQWZUYTZBJKN-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_106-89-8", "concept:BRLQWZUYTZBJKN-UHFFFAOYSA-N" ], "notation": "epClhdne", "prefLabel": "1-chloor-2,3-epoxypropaan (epichloorhydrine)", "semanticRelation": [ "wise:CAS_106-89-8", "concept:BRLQWZUYTZBJKN-UHFFFAOYSA-N" ] }, { "id": "concept:BRPSAOUFIJSKOT-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "27134-27-6", "608-27-5" ], "dbo:formula": "C6H5Cl2N", "dbo:inchi": "InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2", "iupacName": "2,3-Dichloroaniline", "pubchem": "11844", "dbo:smiles": "C1=CC(=C(C(=C1)Cl)Cl)N", "dbp:inchikey": "BRPSAOUFIJSKOT-UHFFFAOYSA-N", "seeAlso": "compound:11844", "closeMatch": [ "wise:CAS_608-27-5", "concept:BRPSAOUFIJSKOT-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_608-27-5", "concept:BRPSAOUFIJSKOT-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_608-27-5", "concept:BRPSAOUFIJSKOT-UHFFFAOYSA-N" ], "notation": "23DClAn", "prefLabel": "2,3-dichlooraniline", "semanticRelation": [ "wise:CAS_608-27-5", "concept:BRPSAOUFIJSKOT-UHFFFAOYSA-N" ] }, { "id": "concept:BTJIUGUIPKRLHP-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "100-02-7", "dbo:formula": "C6H5NO3", "dbo:inchi": "InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H", "iupacName": "4-Nitrophenol", "pubchem": "980", "dbo:smiles": "C1=CC(=CC=C1[N+](=O)[O-])O", "dbp:inchikey": "BTJIUGUIPKRLHP-UHFFFAOYSA-N", "seeAlso": "compound:980", "closeMatch": [ "wise:CAS_100-02-7", "concept:BTJIUGUIPKRLHP-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_100-02-7", "concept:BTJIUGUIPKRLHP-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_100-02-7", "concept:BTJIUGUIPKRLHP-UHFFFAOYSA-N" ], "notation": "4NO2Fol", "prefLabel": "4-nitrofenol", "semanticRelation": [ "wise:CAS_100-02-7", "concept:BTJIUGUIPKRLHP-UHFFFAOYSA-N" ] }, { "id": "concept:BUGBHKTXTAQXES-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "11125-23-8", "11133-88-3", "12640-29-8", "12640-30-1", "12641-96-2", "12733-65-2", "37256-19-2", "37258-85-8", "37276-15-6", "37368-02-8", "50954-17-1", "51882-60-1", "7782-49-2", "7783-07-5", "95788-45-7" ], "dbo:formula": "Se", "dbo:inchi": "InChI=1S/Se", "iupacName": "Selenium", "pubchem": "6326970", "dbo:smiles": "[Se]", "dbp:inchikey": "BUGBHKTXTAQXES-UHFFFAOYSA-N", "comment": [ "VLAR II bijl. 4.4.2 'seleen en zijn verbindingen, uitgedrukt in Se'", "VLAR III (D3) 'seleenverbindingen, uitgedrukt als Se'", "VLAR III (D3, diverse art) 'Se'" ], "seeAlso": "compound:6326970", "altLabel": "Seleen (Se)", "closeMatch": [ "wise:CAS_7782-49-2", "concept:BUGBHKTXTAQXES-UHFFFAOYSA-N" ], "definition": "seleen en seleenverbindingen, uitgedrukt als lood (Pb)", "exactMatch": [ "wise:CAS_7782-49-2", "concept:BUGBHKTXTAQXES-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7782-49-2", "concept:BUGBHKTXTAQXES-UHFFFAOYSA-N" ], "notation": "Se", "note": "seleen en seleenverbindingen, uitgedrukt als lood (Pb)", "prefLabel": "seleen", "semanticRelation": [ "wise:CAS_7782-49-2", "concept:BUGBHKTXTAQXES-UHFFFAOYSA-N" ] }, { "id": "concept:BVKZGUZCCUSVTD-UHFFFAOYSA-L", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "3812-32-6", "dbo:formula": "CO3-2", "dbo:inchi": "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2", "iupacName": "carbonate", "pubchem": "19660", "dbo:smiles": "C(=O)([O-])[O-]", "dbp:inchikey": "BVKZGUZCCUSVTD-UHFFFAOYSA-L", "seeAlso": "compound:19660", "closeMatch": [ "wise:CAS_3812-32-6", "concept:BVKZGUZCCUSVTD-UHFFFAOYSA-L" ], "exactMatch": [ "wise:CAS_3812-32-6", "concept:BVKZGUZCCUSVTD-UHFFFAOYSA-L" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_3812-32-6", "concept:BVKZGUZCCUSVTD-UHFFFAOYSA-L" ], "notation": "CO3", "prefLabel": "carbonaat", "semanticRelation": [ "wise:CAS_3812-32-6", "concept:BVKZGUZCCUSVTD-UHFFFAOYSA-L" ] }, { "id": "concept:BVKZGUZCCUSVTD-UHFFFAOYSA-M", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "71-52-3", "dbo:formula": "CHO3-", "dbo:inchi": "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1", "iupacName": "hydrogen carbonate", "pubchem": "769", "dbo:smiles": "C(=O)(O)[O-]", "dbp:inchikey": "BVKZGUZCCUSVTD-UHFFFAOYSA-M", "seeAlso": "compound:769", "closeMatch": [ "wise:CAS_71-52-3", "concept:BVKZGUZCCUSVTD-UHFFFAOYSA-M" ], "exactMatch": [ "wise:CAS_71-52-3", "concept:BVKZGUZCCUSVTD-UHFFFAOYSA-M" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_71-52-3", "concept:BVKZGUZCCUSVTD-UHFFFAOYSA-M" ], "notation": "HCO3", "prefLabel": "waterstofcarbonaat", "semanticRelation": [ "wise:CAS_71-52-3", "concept:BVKZGUZCCUSVTD-UHFFFAOYSA-M" ] }, { "id": "concept:BXNANOICGRISHX-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "56-72-4", "dbo:formula": "C14H16ClO5PS", "dbo:inchi": "InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3", "iupacName": "3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one", "pubchem": "2871", "dbo:smiles": "CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C", "dbp:inchikey": "BXNANOICGRISHX-UHFFFAOYSA-N", "seeAlso": "compound:2871", "closeMatch": [ "wise:CAS_56-72-4", "concept:BXNANOICGRISHX-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_56-72-4", "concept:BXNANOICGRISHX-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_56-72-4", "concept:BXNANOICGRISHX-UHFFFAOYSA-N" ], "notation": "cumfs", "prefLabel": "cumafos", "semanticRelation": [ "wise:CAS_56-72-4", "concept:BXNANOICGRISHX-UHFFFAOYSA-N" ] }, { "id": "concept:BYBLEWFAAKGYCD-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "22916-47-8", "75319-47-0" ], "dbo:formula": "C18H14Cl4N2O", "dbo:inchi": "InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2", "iupacName": "1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole", "pubchem": "4189", "dbo:smiles": "C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl", "dbp:inchikey": "BYBLEWFAAKGYCD-UHFFFAOYSA-N", "seeAlso": "compound:4189", "closeMatch": [ "wise:CAS_22916-47-8", "concept:BYBLEWFAAKGYCD-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_22916-47-8", "concept:BYBLEWFAAKGYCD-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_22916-47-8", "concept:BYBLEWFAAKGYCD-UHFFFAOYSA-N" ], "notation": "micanzl", "prefLabel": "miconazol", "semanticRelation": [ "wise:CAS_22916-47-8", "concept:BYBLEWFAAKGYCD-UHFFFAOYSA-N" ] }, { "id": "concept:BZHJMEDXRYGGRV-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "75-01-4", "9002-86-2" ], "dbo:formula": "C2H3Cl", "dbo:inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2", "iupacName": "Chloroethene", "pubchem": "6338", "dbo:smiles": "C=CCl", "dbp:inchikey": "BZHJMEDXRYGGRV-UHFFFAOYSA-N", "comment": [ "VLAREM II bijlage 4.4.2", "VLAR II Art. 5.7.7.1", "VLAR III (D3) 'vinylchloride'", "VLAREM bijlage 2.5.1 'monovinylchloride'" ], "seeAlso": "compound:6338", "altLabel": [ "chlooretheen (vinylchloride)", "vinylchloride" ], "closeMatch": [ "wise:CAS_75-01-4", 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"C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "CKAPSXZOOQJIBF-UHFFFAOYSA-N", "seeAlso": "compound:8370", "altLabel": "hexachloorbenzeen (hcb)", "closeMatch": [ "wise:CAS_118-74-1", "concept:CKAPSXZOOQJIBF-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_118-74-1", "concept:CKAPSXZOOQJIBF-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_118-74-1", "concept:CKAPSXZOOQJIBF-UHFFFAOYSA-N" ], "notation": "HCB", "prefLabel": "hexachloorbenzeen", "semanticRelation": [ "wise:CAS_118-74-1", "concept:CKAPSXZOOQJIBF-UHFFFAOYSA-N" ] }, { "id": "concept:CMVQZRLQEOAYSW-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "27900-75-0", "3209-22-1" ], "dbo:formula": "C6H3Cl2NO2", "dbo:inchi": "InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H", "iupacName": "1,2-Dichloro-3-nitrobenzene", "pubchem": "18555", "dbo:smiles": "C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]", "dbp:inchikey": 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"CMWTZPSULFXXJA-UHFFFAOYSA-N", "seeAlso": "compound:1302", "closeMatch": [ "wise:CAS_22204-53-1", "concept:CMWTZPSULFXXJA-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_22204-53-1", "concept:CMWTZPSULFXXJA-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_22204-53-1", "concept:CMWTZPSULFXXJA-UHFFFAOYSA-N" ], "notation": "napxn", "prefLabel": "naproxen", "semanticRelation": [ "wise:CAS_22204-53-1", "concept:CMWTZPSULFXXJA-UHFFFAOYSA-N" ] }, { "id": "concept:CPELXLSAUQHCOX-UHFFFAOYSA-M", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "24959-67-9", "7726-95-6" ], "dbo:formula": "Br-", "dbo:inchi": "InChI=1S/BrH/h1H/p-1", "iupacName": "bromide", "pubchem": "259", "dbo:smiles": "[Br-]", "dbp:inchikey": "CPELXLSAUQHCOX-UHFFFAOYSA-M", "seeAlso": "compound:259", "altLabel": "bromide", "closeMatch": [ "wise:CAS_24959-67-9", "concept:CPELXLSAUQHCOX-UHFFFAOYSA-M" ], "exactMatch": [ "wise:CAS_24959-67-9", "concept:CPELXLSAUQHCOX-UHFFFAOYSA-M" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_24959-67-9", "concept:CPELXLSAUQHCOX-UHFFFAOYSA-M" ], "notation": [ "Br", "Br2" ], "prefLabel": "dibroom", "semanticRelation": [ "wise:CAS_24959-67-9", "concept:CPELXLSAUQHCOX-UHFFFAOYSA-M" ] }, { "id": "concept:CRQQGFGUEAVUIL-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "101963-73-9", "1897-45-6", "37223-69-1" ], "dbo:formula": "C8Cl4N2", "dbo:inchi": "InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14", "iupacName": "2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile", "pubchem": "15910", "dbo:smiles": "C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl", "dbp:inchikey": "CRQQGFGUEAVUIL-UHFFFAOYSA-N", "seeAlso": "compound:15910", "closeMatch": [ "wise:CAS_1897-45-6", "concept:CRQQGFGUEAVUIL-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_1897-45-6", "concept:CRQQGFGUEAVUIL-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_1897-45-6", "concept:CRQQGFGUEAVUIL-UHFFFAOYSA-N" ], "notation": "Cltlnl", "prefLabel": "chloorthalonil", "semanticRelation": [ "wise:CAS_1897-45-6", "concept:CRQQGFGUEAVUIL-UHFFFAOYSA-N" ] }, { "id": "concept:CSHWQDPOILHKBI-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "198-55-0", "77392-71-3" ], "dbo:formula": "C20H12", "dbo:inchi": "InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H", "iupacName": "Perylene", "pubchem": "9142", "dbo:smiles": "C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2", "dbp:inchikey": "CSHWQDPOILHKBI-UHFFFAOYSA-N", "seeAlso": "compound:9142", "closeMatch": [ "wise:CAS_198-55-0", "concept:CSHWQDPOILHKBI-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_198-55-0", "concept:CSHWQDPOILHKBI-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_198-55-0", "concept:CSHWQDPOILHKBI-UHFFFAOYSA-N" ], "notation": "Pe", "prefLabel": "peryleen", "semanticRelation": [ "wise:CAS_198-55-0", "concept:CSHWQDPOILHKBI-UHFFFAOYSA-N" ] }, { "id": "concept:CTQNGGLPUBDAKN-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "68411-84-7", "95-47-6" ], "dbo:formula": "C8H10", "dbo:inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3", "iupacName": "1,2-Dimethylbenzene", "pubchem": "7237", "dbo:smiles": "CC1=CC=CC=C1C", "dbp:inchikey": "CTQNGGLPUBDAKN-UHFFFAOYSA-N", "comment": "VLAR II bijl. 4.4.2 'xylenen'", "seeAlso": "compound:7237", "altLabel": [ "1,2-Dimethylbenzeen", "1,2-xyleen", "o-xyleen" ], "closeMatch": [ "wise:CAS_95-47-6", "concept:CTQNGGLPUBDAKN-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_95-47-6", "concept:CTQNGGLPUBDAKN-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_95-47-6", "concept:CTQNGGLPUBDAKN-UHFFFAOYSA-N" ], "notation": "12xyln", "prefLabel": "ortho-xyleen", "semanticRelation": [ "wise:CAS_95-47-6", "concept:CTQNGGLPUBDAKN-UHFFFAOYSA-N" ] }, { "id": "concept:CTSLUCNDVMMDHG-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "314-40-9", "dbo:formula": "C9H13BrN2O2", "dbo:inchi": "InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)", "iupacName": "5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione", "pubchem": "9411", "dbo:smiles": "CCC(C)N1C(=O)C(=C(NC1=O)C)Br", "dbp:inchikey": "CTSLUCNDVMMDHG-UHFFFAOYSA-N", "seeAlso": "compound:9411", "closeMatch": [ "wise:CAS_314-40-9", "concept:CTSLUCNDVMMDHG-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_314-40-9", "concept:CTSLUCNDVMMDHG-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_314-40-9", "concept:CTSLUCNDVMMDHG-UHFFFAOYSA-N" ], "notation": "bromcl", "prefLabel": "bromacil", "semanticRelation": [ "wise:CAS_314-40-9", "concept:CTSLUCNDVMMDHG-UHFFFAOYSA-N" ] }, { "id": "concept:CVUGPAFCQJIYDT-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "58633-26-4", "789-02-6" ], "dbo:formula": "C14H9Cl5", "dbo:inchi": "InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H", "iupacName": "1-chloro-4-[2,2,2-trichloro-1-(2-chlorophenyl)ethyl]benzene", "pubchem": "13089", "dbo:smiles": "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl", "dbp:inchikey": "CVUGPAFCQJIYDT-UHFFFAOYSA-N", "seeAlso": "compound:13089", "altLabel": "2,4'-dichloordifenyltrichloorethaan", "closeMatch": [ "wise:CAS_789-02-6", "concept:CVUGPAFCQJIYDT-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_789-02-6", "concept:CVUGPAFCQJIYDT-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_789-02-6", "concept:CVUGPAFCQJIYDT-UHFFFAOYSA-N" ], "notation": "24DDT", "prefLabel": "o,p’-ddt", "semanticRelation": [ "wise:CAS_789-02-6", "concept:CVUGPAFCQJIYDT-UHFFFAOYSA-N" ] }, { "id": "concept:CVXBEEMKQHEXEN-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "11095-11-7", "11130-47-5", "27636-33-5", "3197-92-0", "51274-03-4", "52001-89-5", "63-25-2" ], "dbo:formula": "C12H11NO2", "dbo:inchi": "InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)", "iupacName": "naphthalen-1-yl N-methylcarbamate", "pubchem": "6129", "dbo:smiles": "CNC(=O)OC1=CC=CC2=CC=CC=C21", "dbp:inchikey": "CVXBEEMKQHEXEN-UHFFFAOYSA-N", "seeAlso": "compound:6129", "closeMatch": [ "wise:CAS_63-25-2", "concept:CVXBEEMKQHEXEN-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_63-25-2", "concept:CVXBEEMKQHEXEN-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_63-25-2", "concept:CVXBEEMKQHEXEN-UHFFFAOYSA-N" ], "notation": "carbrl", "prefLabel": "carbaryl", "semanticRelation": [ "wise:CAS_63-25-2", "concept:CVXBEEMKQHEXEN-UHFFFAOYSA-N" ] }, { "id": "concept:CWJSHJJYOPWUGX-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "101-21-3", "11097-02-2" ], "dbo:formula": "C10H12ClNO2", "dbo:inchi": "InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)", "iupacName": "propan-2-yl N-(3-chlorophenyl)carbamate", "pubchem": "2728", "dbo:smiles": "CC(C)OC(=O)NC1=CC(=CC=C1)Cl", "dbp:inchikey": "CWJSHJJYOPWUGX-UHFFFAOYSA-N", "seeAlso": "compound:2728", "altLabel": "chlorpropham", "closeMatch": [ "wise:CAS_101-21-3", "concept:CWJSHJJYOPWUGX-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_101-21-3", "concept:CWJSHJJYOPWUGX-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_101-21-3", "concept:CWJSHJJYOPWUGX-UHFFFAOYSA-N" ], "notation": "Clpfm", "prefLabel": "chloorprofam", "semanticRelation": [ "wise:CAS_101-21-3", "concept:CWJSHJJYOPWUGX-UHFFFAOYSA-N" ] }, { "id": "concept:CWRYPZZKDGJXCA-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "83-32-9", "dbo:formula": "C12H10", "dbo:inchi": "InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2", "iupacName": "Acenaphthene", "pubchem": "6734", "dbo:smiles": "C1CC2=CC=CC3=C2C1=CC=C3", "dbp:inchikey": "CWRYPZZKDGJXCA-UHFFFAOYSA-N", "seeAlso": "compound:6734", "closeMatch": [ "wise:CAS_83-32-9", "concept:CWRYPZZKDGJXCA-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_83-32-9", "concept:CWRYPZZKDGJXCA-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_83-32-9", "concept:CWRYPZZKDGJXCA-UHFFFAOYSA-N" ], "notation": "AcNe", "prefLabel": "acenafteen", "semanticRelation": [ "wise:CAS_83-32-9", "concept:CWRYPZZKDGJXCA-UHFFFAOYSA-N" ] }, { "id": "concept:CYRMSUTZVYGINF-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "62185-70-0", "75-69-4", "79620-41-0", "83589-40-6", "91315-61-6" ], "dbo:formula": "CCl3F", "dbo:inchi": "InChI=1S/CCl3F/c2-1(3,4)5", "iupacName": "trichloro-fluoromethane", "pubchem": "6389", "dbo:smiles": "C(F)(Cl)(Cl)Cl", "dbp:inchikey": "CYRMSUTZVYGINF-UHFFFAOYSA-N", "comment": "VLAREM II bijlage 4.4.2", "seeAlso": "compound:6389", "altLabel": "trichloorfluormethaan", "closeMatch": [ "wise:CAS_75-69-4", "concept:CYRMSUTZVYGINF-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_75-69-4", "concept:CYRMSUTZVYGINF-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_75-69-4", "concept:CYRMSUTZVYGINF-UHFFFAOYSA-N" ], "notation": "CFK11", "prefLabel": "trichloorfluormethaan", "semanticRelation": [ "wise:CAS_75-69-4", "concept:CYRMSUTZVYGINF-UHFFFAOYSA-N" ] }, { "id": "concept:CYTYCFOTNPOANT-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "127-18-4", "dbo:formula": "C2Cl4", "dbo:inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6", "iupacName": "1,1,2,2-Tetrachloroethene", "pubchem": "31373", "dbo:smiles": "C(=C(Cl)Cl)(Cl)Cl", "dbp:inchikey": "CYTYCFOTNPOANT-UHFFFAOYSA-N", "comment": [ " (PER bij droogkuis), 'tetrachloorethyleen', 'tetrachloorethyleen'", "VLAR II Art. 5.4.3.1.4 'perchloorethyleen'", "VLAR II bijl. 4.4.2 'tetrachloorethyleen'" ], "seeAlso": "compound:31373", "altLabel": [ "per (perchloorethyleen)", "tetrachlooretheen (per)", "tetrachlooretheen", "tetrachloorethyleen (per)" ], "closeMatch": [ "wise:CAS_127-18-4", "concept:CYTYCFOTNPOANT-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_127-18-4", "concept:CYTYCFOTNPOANT-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_127-18-4", "concept:CYTYCFOTNPOANT-UHFFFAOYSA-N" ], "notation": "T4ClC2e", "prefLabel": "PER (perchloorethyleen)", "semanticRelation": [ "wise:CAS_127-18-4", "concept:CYTYCFOTNPOANT-UHFFFAOYSA-N" ] }, { "id": "concept:CZGCEKJOLUNIFY-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "100-00-5", "dbo:formula": "C6H4ClNO2", "dbo:inchi": "InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H", "iupacName": "1-Chloro-4-nitrobenzene", "pubchem": "7474", "dbo:smiles": "C1=CC(=CC=C1[N+](=O)[O-])Cl", "dbp:inchikey": "CZGCEKJOLUNIFY-UHFFFAOYSA-N", "seeAlso": "compound:7474", "closeMatch": [ "wise:CAS_100-00-5", "concept:CZGCEKJOLUNIFY-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_100-00-5", "concept:CZGCEKJOLUNIFY-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_100-00-5", "concept:CZGCEKJOLUNIFY-UHFFFAOYSA-N" ], "notation": "1Cl4NO2Ben", "prefLabel": "1-chloor-4-nitrobenzeen", "semanticRelation": [ "wise:CAS_100-00-5", "concept:CZGCEKJOLUNIFY-UHFFFAOYSA-N" ] }, { "id": "concept:DCOPUUMXTXDBNB-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "15307-86-5", "dbo:formula": "C14H11Cl2NO2", "dbo:inchi": "InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)", "iupacName": "2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid", "pubchem": "3033", "dbo:smiles": "C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl", "dbp:inchikey": "DCOPUUMXTXDBNB-UHFFFAOYSA-N", "seeAlso": "compound:3033", "closeMatch": [ "wise:CAS_15307-86-5", "concept:DCOPUUMXTXDBNB-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_15307-86-5", "concept:DCOPUUMXTXDBNB-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_15307-86-5", "concept:DCOPUUMXTXDBNB-UHFFFAOYSA-N" ], "notation": "Dclofnc", "prefLabel": "diclofenac", "semanticRelation": [ "wise:CAS_15307-86-5", "concept:DCOPUUMXTXDBNB-UHFFFAOYSA-N" ] }, { "id": "concept:DDBMQDADIHOWIC-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "74070-46-5", "dbo:formula": "C12H9ClN2O3", "dbo:inchi": "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2", "iupacName": "2-chloro-6-nitro-3-(phenoxy)aniline", "pubchem": "92389", "dbo:smiles": "C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl", "dbp:inchikey": "DDBMQDADIHOWIC-UHFFFAOYSA-N", "seeAlso": "compound:92389", "closeMatch": [ "wise:CAS_74070-46-5", "concept:DDBMQDADIHOWIC-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_74070-46-5", "concept:DDBMQDADIHOWIC-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_74070-46-5", "concept:DDBMQDADIHOWIC-UHFFFAOYSA-N" ], "notation": "acnfn", "prefLabel": "aclonifen", "semanticRelation": [ "wise:CAS_74070-46-5", "concept:DDBMQDADIHOWIC-UHFFFAOYSA-N" ] }, { "id": "concept:DEIGXXQKDWULML-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "23774-70-1", "3194-55-6" ], "dbo:formula": "C12H18Br6", "dbo:inchi": "InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2", "iupacName": "1,2,5,6,9,10-HEXABROMOCYCLODODECANE", "pubchem": "18529", "dbo:smiles": "C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br", "dbp:inchikey": "DEIGXXQKDWULML-UHFFFAOYSA-N", "seeAlso": "compound:18529", "altLabel": [ "hexabroomcyclododecaan (hbcd)", "hexabroomcyclododecaan" ], "closeMatch": [ "wise:CAS_3194-55-6", "concept:DEIGXXQKDWULML-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_3194-55-6", "concept:DEIGXXQKDWULML-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_3194-55-6", "concept:DEIGXXQKDWULML-UHFFFAOYSA-N" ], "notation": "sHBCD", "prefLabel": "som 1,2,5,6,9,10-hexabroomcyclododecaan", "semanticRelation": [ "wise:CAS_3194-55-6", "concept:DEIGXXQKDWULML-UHFFFAOYSA-N" ] }, { "id": "concept:DEWLEGDTCGBNGU-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "148584-48-9", "26545-73-3", "26602-95-9", "27988-86-9", "96-23-1" ], "dbo:formula": "C3H6Cl2O", "dbo:inchi": "InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2", "iupacName": "1,3-Dichloropropan-2-ol", "pubchem": "7289", "dbo:smiles": "C(C(CCl)O)Cl", "dbp:inchikey": "DEWLEGDTCGBNGU-UHFFFAOYSA-N", "seeAlso": "compound:7289", "altLabel": "1,3-dichloor-2-propanol", "closeMatch": [ "wise:CAS_96-23-1", "concept:DEWLEGDTCGBNGU-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_96-23-1", "concept:DEWLEGDTCGBNGU-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_96-23-1", "concept:DEWLEGDTCGBNGU-UHFFFAOYSA-N" ], "notation": [ "13DCl2C3ol", "DClC3ol" ], "prefLabel": "dichloorpropanol", "semanticRelation": [ "wise:CAS_96-23-1", "concept:DEWLEGDTCGBNGU-UHFFFAOYSA-N" ] }, { "id": "concept:DFBKLUNHFCTMDC-PICURKEMSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "128-10-9", "60-57-1" ], "dbo:formula": "C12H8Cl6O", "dbo:inchi": 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"C12H8Cl6O", "dbo:inchi": "InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2", "iupacName": "3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene", "pubchem": "3048", "dbo:smiles": "C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "DFBKLUNHFCTMDC-UHFFFAOYSA-N", "seeAlso": "compound:3048", "closeMatch": [ "wise:CAS_72-20-8", "concept:DFBKLUNHFCTMDC-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_72-20-8", "concept:DFBKLUNHFCTMDC-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_72-20-8", "concept:DFBKLUNHFCTMDC-UHFFFAOYSA-N" ], "notation": "endn", "prefLabel": "endrin", "semanticRelation": [ "wise:CAS_72-20-8", "concept:DFBKLUNHFCTMDC-UHFFFAOYSA-N" ] }, { "id": "concept:DFWFIQKMSFGDCQ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "6190-65-4", "dbo:formula": "C6H10ClN5", "dbo:inchi": "InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)", "iupacName": "6-chloro-N-propan-2-yl-1,3,5-triazine-2,4-diamine", "pubchem": "22563", "dbo:smiles": "CC(C)NC1=NC(=NC(=N1)N)Cl", "dbp:inchikey": "DFWFIQKMSFGDCQ-UHFFFAOYSA-N", "seeAlso": "compound:22563", "closeMatch": [ "wise:CAS_6190-65-4", "concept:DFWFIQKMSFGDCQ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_6190-65-4", "concept:DFWFIQKMSFGDCQ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_6190-65-4", "concept:DFWFIQKMSFGDCQ-UHFFFAOYSA-N" ], "notation": "desC2yatzne", "prefLabel": "desethylatrazine", "semanticRelation": [ "wise:CAS_6190-65-4", "concept:DFWFIQKMSFGDCQ-UHFFFAOYSA-N" ] }, { "id": "concept:DGLIBALSRMUQDD-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "298-03-3", "dbo:formula": "C8H19O3PS2", "dbo:inchi": "InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3", "iupacName": "diethoxy-(2-ethylsulfanylethoxy)-sulfanylidenephosphorane", "pubchem": "9273", "dbo:smiles": "CCOP(=S)(OCC)OCCSCC", "dbp:inchikey": "DGLIBALSRMUQDD-UHFFFAOYSA-N", "seeAlso": "compound:9273", "altLabel": "demeton-O", "closeMatch": [ "wise:CAS_298-03-3", "concept:DGLIBALSRMUQDD-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_298-03-3", "concept:DGLIBALSRMUQDD-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_298-03-3", "concept:DGLIBALSRMUQDD-UHFFFAOYSA-N" ], "notation": "demtnO", "prefLabel": "demeton-o", "semanticRelation": [ "wise:CAS_298-03-3", "concept:DGLIBALSRMUQDD-UHFFFAOYSA-N" ] }, { "id": "concept:DIKBFYAXUHHXCS-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "4471-18-5", "75-25-2" ], "dbo:formula": "CHBr3", "dbo:inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H", "iupacName": "Bromoform", "pubchem": "5558", "dbo:smiles": "C(Br)(Br)Br", "dbp:inchikey": "DIKBFYAXUHHXCS-UHFFFAOYSA-N", "seeAlso": "compound:5558", "altLabel": "bromoform", "closeMatch": [ "wise:CAS_75-25-2", "concept:DIKBFYAXUHHXCS-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_75-25-2", "concept:DIKBFYAXUHHXCS-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_75-25-2", "concept:DIKBFYAXUHHXCS-UHFFFAOYSA-N" ], "notation": "TBrC1a", "prefLabel": "tribroommethaan", "semanticRelation": [ "wise:CAS_75-25-2", "concept:DIKBFYAXUHHXCS-UHFFFAOYSA-N" ] }, { "id": "concept:DMLQSUZPTTUUDP-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "182346-21-0", "dbo:formula": "C12H5Br5O", "dbo:inchi": "InChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H", "iupacName": "1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene", "pubchem": "177368", "dbo:smiles": "C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2)Br)Br)Br", "dbp:inchikey": "DMLQSUZPTTUUDP-UHFFFAOYSA-N", "seeAlso": "compound:177368", "altLabel": "2,2',3,4,4'-pentabroomdifenylether (bde85)", "closeMatch": [ "wise:CAS_182346-21-0", "concept:DMLQSUZPTTUUDP-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_182346-21-0", "concept:DMLQSUZPTTUUDP-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_182346-21-0", "concept:DMLQSUZPTTUUDP-UHFFFAOYSA-N" ], "notation": "PBDE85", "prefLabel": "2,2',3,4,4'-pentabroomdifenylether", "semanticRelation": [ "wise:CAS_182346-21-0", "concept:DMLQSUZPTTUUDP-UHFFFAOYSA-N" ] }, { "id": "concept:DNXHEGUUPJUMQT-CBZIJGRNSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "37242-41-4", "53-16-7" ], "dbo:formula": "C18H22O2", "dbo:inchi": "InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1", "iupacName": 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"dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "4371-77-1", "74-95-3" ], "dbo:formula": "CH2Br2", "dbo:inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2", "iupacName": "Dibromomethane", "pubchem": "3024", "dbo:smiles": "C(Br)Br", "dbp:inchikey": "FJBFPHVGVWTDIP-UHFFFAOYSA-N", "seeAlso": "compound:3024", "closeMatch": [ "wise:CAS_74-95-3", "concept:FJBFPHVGVWTDIP-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_74-95-3", "concept:FJBFPHVGVWTDIP-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_74-95-3", "concept:FJBFPHVGVWTDIP-UHFFFAOYSA-N" ], "notation": "DBrC1a", "prefLabel": "dibroommethaan", "semanticRelation": [ "wise:CAS_74-95-3", "concept:FJBFPHVGVWTDIP-UHFFFAOYSA-N" ] }, { "id": "concept:FKNQFGJONOIPTF-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "17341-25-2", "7440-23-5" ], "dbo:formula": "Na+", "dbo:inchi": "InChI=1S/Na/q+1", "iupacName": "sodium(+1) 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"FSAVDKDHPDSCTO-WQLSENKSSA-N", "seeAlso": "compound:5377784", "altLabel": "Alfa-chloorfenvinfos", "closeMatch": [ "wise:CAS_18708-87-7", "concept:FSAVDKDHPDSCTO-WQLSENKSSA-N" ], "exactMatch": [ "wise:CAS_18708-87-7", "concept:FSAVDKDHPDSCTO-WQLSENKSSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_18708-87-7", "concept:FSAVDKDHPDSCTO-WQLSENKSSA-N" ], "notation": "aClfvfs", "prefLabel": "cis-chloorfenvinfos", "semanticRelation": [ "wise:CAS_18708-87-7", "concept:FSAVDKDHPDSCTO-WQLSENKSSA-N" ] }, { "id": "concept:FSAVDKDHPDSCTO-XYOKQWHBSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "18708-86-6", "dbo:formula": "C12H14Cl3O4P", "dbo:inchi": "InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+", "iupacName": "[(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate", "pubchem": "5377791", "dbo:smiles": "CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl", "dbp:inchikey": "FSAVDKDHPDSCTO-XYOKQWHBSA-N", "seeAlso": "compound:5377791", "altLabel": "beta-chloorfenvinfos", "closeMatch": [ "wise:CAS_18708-86-6", "concept:FSAVDKDHPDSCTO-XYOKQWHBSA-N" ], "exactMatch": [ "wise:CAS_18708-86-6", "concept:FSAVDKDHPDSCTO-XYOKQWHBSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_18708-86-6", "concept:FSAVDKDHPDSCTO-XYOKQWHBSA-N" ], "notation": "bClfvfs", "prefLabel": "trans-chloorfenvinfos", "semanticRelation": [ "wise:CAS_18708-86-6", "concept:FSAVDKDHPDSCTO-XYOKQWHBSA-N" ] }, { "id": "concept:FSPZPQQWDODWAU-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "40321-76-4", "dbo:formula": "C12H3Cl5O2", "dbo:inchi": "InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H", "iupacName": "1,2,3,7,8-pentachlorooxanthrene", "pubchem": "38439", "dbo:smiles": "C1=C2C(=CC(=C1Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl", "dbp:inchikey": "FSPZPQQWDODWAU-UHFFFAOYSA-N", "comment": [ "VLAR II+ bijlagen", "VLAR III (D3, diverse art) 'dioxinen en furanen'" ], "seeAlso": "compound:38439", "altLabel": [ " 1,2,3,7,8-pentachloordibenzodioxine", "1,2,3,7,8-pentachloordibenzo-p-dioxine", "1,2,3,7,8-pentachloordibenzo-para-dioxine", "1,2,3,7,8-pentachloordibenzodioxine" ], "closeMatch": [ "wise:CAS_40321-76-4", "concept:FSPZPQQWDODWAU-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_40321-76-4", "concept:FSPZPQQWDODWAU-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_40321-76-4", "concept:FSPZPQQWDODWAU-UHFFFAOYSA-N" ], "notation": "PCDD54", "prefLabel": "1,2,3,7,8-pentachloordibenzodioxine (pecdd)", "semanticRelation": [ "wise:CAS_40321-76-4", "concept:FSPZPQQWDODWAU-UHFFFAOYSA-N" ] }, { "id": "concept:FTOVXSOBNPWTSH-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "205-99-2", "dbo:formula": "C20H12", "dbo:inchi": "InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H", "iupacName": "pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene", "pubchem": "9153", "dbo:smiles": "C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1", "dbp:inchikey": "FTOVXSOBNPWTSH-UHFFFAOYSA-N", "comment": "VLAR II (D2)", "seeAlso": "compound:9153", "altLabel": [ "benzo(b)fluorantheen (b)", "benzo(b)fluorantheen" ], "closeMatch": [ "wise:CAS_205-99-2", "concept:FTOVXSOBNPWTSH-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_205-99-2", "concept:FTOVXSOBNPWTSH-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_205-99-2", "concept:FTOVXSOBNPWTSH-UHFFFAOYSA-N" ], "notation": "BbF", "prefLabel": "benzo(b)fluoran-teen", "semanticRelation": [ "wise:CAS_205-99-2", "concept:FTOVXSOBNPWTSH-UHFFFAOYSA-N" ] }, { "id": "concept:FZXISNSWEXTPMF-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "5915-41-3", "63026-57-3" ], "dbo:formula": "C9H16ClN5", "dbo:inchi": "InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)", "iupacName": "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine", "pubchem": "22206", "dbo:smiles": "CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C", "dbp:inchikey": "FZXISNSWEXTPMF-UHFFFAOYSA-N", "seeAlso": "compound:22206", "altLabel": "terbuthylazine", "closeMatch": [ "wise:CAS_5915-41-3", "concept:FZXISNSWEXTPMF-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_5915-41-3", "concept:FZXISNSWEXTPMF-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_5915-41-3", "concept:FZXISNSWEXTPMF-UHFFFAOYSA-N" ], "notation": "terC4yazne", "prefLabel": "terbutylazine", "semanticRelation": [ "wise:CAS_5915-41-3", "concept:FZXISNSWEXTPMF-UHFFFAOYSA-N" ] }, { "id": "concept:GATVIKZLVQHOMN-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "124-48-1", "dbo:formula": "CHBr2Cl", "dbo:inchi": "InChI=1S/CHBr2Cl/c2-1(3)4/h1H", "iupacName": "dibromo-chloromethane", "pubchem": "31296", "dbo:smiles": "C(Cl)(Br)Br", "dbp:inchikey": "GATVIKZLVQHOMN-UHFFFAOYSA-N", "seeAlso": "compound:31296", "closeMatch": [ "wise:CAS_124-48-1", "concept:GATVIKZLVQHOMN-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_124-48-1", "concept:GATVIKZLVQHOMN-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_124-48-1", "concept:GATVIKZLVQHOMN-UHFFFAOYSA-N" ], "notation": "DBrClC1a", "prefLabel": "dibroomchloormethaan", "semanticRelation": [ "wise:CAS_124-48-1", "concept:GATVIKZLVQHOMN-UHFFFAOYSA-N" ] }, { "id": "concept:GBAWQJNHVWMTLU-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "23560-59-0", "77107-77-8" ], "dbo:formula": "C9H12ClO4P", "dbo:inchi": "InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3", "iupacName": "(6-chloro-7-bicyclo[3.2.0]hepta-3,6-dienyl) dimethyl phosphate", "pubchem": "62773", "dbo:smiles": "COP(=O)(OC)OC1=C(C2C1CC=C2)Cl", "dbp:inchikey": "GBAWQJNHVWMTLU-UHFFFAOYSA-N", "seeAlso": "compound:62773", "closeMatch": [ "wise:CAS_23560-59-0", "concept:GBAWQJNHVWMTLU-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_23560-59-0", "concept:GBAWQJNHVWMTLU-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_23560-59-0", "concept:GBAWQJNHVWMTLU-UHFFFAOYSA-N" ], "notation": "heptnfs", "prefLabel": "heptenofos", "semanticRelation": [ "wise:CAS_23560-59-0", "concept:GBAWQJNHVWMTLU-UHFFFAOYSA-N" ] }, { "id": "concept:GBNHEBQXJVDXSW-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "609-19-8", "dbo:formula": "C6H3Cl3O", "dbo:inchi": "InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H", "iupacName": "3,4,5-Trichlorophenol", "pubchem": "11859", "dbo:smiles": "C1=C(C=C(C(=C1Cl)Cl)Cl)O", "dbp:inchikey": "GBNHEBQXJVDXSW-UHFFFAOYSA-N", "seeAlso": "compound:11859", "closeMatch": [ "wise:CAS_609-19-8", "concept:GBNHEBQXJVDXSW-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_609-19-8", "concept:GBNHEBQXJVDXSW-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_609-19-8", "concept:GBNHEBQXJVDXSW-UHFFFAOYSA-N" ], "notation": "345TClFol", "prefLabel": "3,4,5-trichloorfenol", "semanticRelation": [ "wise:CAS_609-19-8", "concept:GBNHEBQXJVDXSW-UHFFFAOYSA-N" ] }, { "id": "concept:GEPDYQSQVLXLEU-AATRIKPKSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "243464-31-5", "26718-65-0", "298-01-1", "7786-34-7" ], "dbo:formula": "C7H13O6P", "dbo:inchi": "InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+", "iupacName": "['methyl 3-dimethoxyphosphoryloxybut-2-enoate', 'methyl 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"24723", "dbo:smiles": "CCOP(=O)(OCC)SCCSCC", "dbp:inchikey": "GRPRVIYRYGLIJU-UHFFFAOYSA-N", "seeAlso": "compound:24723", "altLabel": "demeton-s", "closeMatch": [ "wise:CAS_126-75-0", "concept:GRPRVIYRYGLIJU-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_126-75-0", "concept:GRPRVIYRYGLIJU-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_126-75-0", "concept:GRPRVIYRYGLIJU-UHFFFAOYSA-N" ], "notation": "demtnS", "prefLabel": "demeton-S", "semanticRelation": [ "wise:CAS_126-75-0", "concept:GRPRVIYRYGLIJU-UHFFFAOYSA-N" ] }, { "id": "concept:GUTLYIVDDKVIGB-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "16610-75-6", "7440-48-4" ], "dbo:formula": "Co", "dbo:inchi": "InChI=1S/Co", "iupacName": "Cobalt", "pubchem": "104730", "dbo:smiles": "[Co]", "dbp:inchikey": "GUTLYIVDDKVIGB-UHFFFAOYSA-N", "comment": [ "VLAR II D5 'kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'", "VLAR II 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"C16H10", "dbo:inchi": "InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H", "iupacName": "FLUORANTHENE", "pubchem": "9154", "dbo:smiles": "C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4", "dbp:inchikey": "GVEPBJHOBDJJJI-UHFFFAOYSA-N", "seeAlso": "compound:9154", "altLabel": [ "fluoranteen", "fluorantheen" ], "closeMatch": [ "wise:CAS_206-44-0", "concept:GVEPBJHOBDJJJI-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_206-44-0", "concept:GVEPBJHOBDJJJI-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_206-44-0", "concept:GVEPBJHOBDJJJI-UHFFFAOYSA-N" ], "notation": "Flu", "prefLabel": "fluorantheen (b)", "semanticRelation": [ "wise:CAS_206-44-0", "concept:GVEPBJHOBDJJJI-UHFFFAOYSA-N" ] }, { "id": "concept:GVYLCNUFSHDAAW-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "12557-88-9", "12707-43-6", "12766-04-0", "20594-49-4", "2385-85-5", "56449-78-6" ], "dbo:formula": "C10Cl12", "dbo:inchi": "InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18", "iupacName": "1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane", "pubchem": "16945", "dbo:smiles": "C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "GVYLCNUFSHDAAW-UHFFFAOYSA-N", "seeAlso": "compound:16945", "closeMatch": [ "wise:CAS_2385-85-5", "concept:GVYLCNUFSHDAAW-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_2385-85-5", "concept:GVYLCNUFSHDAAW-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_2385-85-5", "concept:GVYLCNUFSHDAAW-UHFFFAOYSA-N" ], "notation": "mirx", "prefLabel": "mirex", "semanticRelation": [ "wise:CAS_2385-85-5", "concept:GVYLCNUFSHDAAW-UHFFFAOYSA-N" ] }, { "id": "concept:GWHJZXXIDMPWGX-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "95-36-3", "95-63-6" ], "dbo:formula": "C9H12", 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"concept:HCRWJJJUKUVORR-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_1014-69-3", "concept:HCRWJJJUKUVORR-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_1014-69-3", "concept:HCRWJJJUKUVORR-UHFFFAOYSA-N" ], "notation": "desmtn", "prefLabel": "desmetryn", "semanticRelation": [ "wise:CAS_1014-69-3", "concept:HCRWJJJUKUVORR-UHFFFAOYSA-N" ] }, { "id": "concept:HCWZEPKLWVAEOV-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "35693-99-3", "dbo:formula": "C12H6Cl4", "dbo:inchi": "InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H", "iupacName": "1,4-dichloro-2-(2,5-dichlorophenyl)benzene", "pubchem": "37248", "dbo:smiles": "C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl", "dbp:inchikey": "HCWZEPKLWVAEOV-UHFFFAOYSA-N", "seeAlso": "compound:37248", "altLabel": [ "2,2',5,5'-tetrachloorbifenyl (pcb52)", "PCB-52", "pcb 52", "pcb-52" ], "closeMatch": [ "wise:CAS_35693-99-3", 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"concept:HFPZCAJZSCWRBC-UHFFFAOYSA-N" ], "notation": "1iC3y4C1yBen", "prefLabel": "1-isopropyl-4-methyl-benzeen", "semanticRelation": [ "wise:CAS_99-87-6", "concept:HFPZCAJZSCWRBC-UHFFFAOYSA-N" ] }, { "id": "concept:HFZWRUODUSTPEG-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "120-83-2", "dbo:formula": "C6H4Cl2O", "dbo:inchi": "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H", "iupacName": "2,4-Dichlorophenol", "pubchem": "8449", "dbo:smiles": "C1=CC(=C(C=C1Cl)Cl)O", "dbp:inchikey": "HFZWRUODUSTPEG-UHFFFAOYSA-N", "seeAlso": "compound:8449", "closeMatch": [ "wise:CAS_120-83-2", "concept:HFZWRUODUSTPEG-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_120-83-2", "concept:HFZWRUODUSTPEG-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_120-83-2", "concept:HFZWRUODUSTPEG-UHFFFAOYSA-N" ], "notation": "24DClFol", "prefLabel": "2,4-dichloorfenol", "semanticRelation": [ "wise:CAS_120-83-2", "concept:HFZWRUODUSTPEG-UHFFFAOYSA-N" ] }, { "id": "concept:HGUFODBRKLSHSI-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "1746-01-6", "56795-67-6" ], "dbo:formula": "C12H4Cl4O2", "dbo:inchi": "InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H", "iupacName": "2,3,7,8-tetrachlorooxanthrene", "pubchem": "15625", "dbo:smiles": "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl", "dbp:inchikey": "HGUFODBRKLSHSI-UHFFFAOYSA-N", "comment": [ "VLAR II+ bijlagen", "VLAR III (D3, diverse art) 'dioxinen en furanen'" ], "seeAlso": "compound:15625", "altLabel": [ " 2,3,7,8-tetrachloordibenzodioxine", "2,3,7,8-tetrachloordibenzodioxine (tcdd)", "2,3,7,8-tetrachloordibenzodioxine" ], "closeMatch": [ "wise:CAS_1746-01-6", "concept:HGUFODBRKLSHSI-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_1746-01-6", "concept:HGUFODBRKLSHSI-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ 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"concept:HOKKPVIRMVDYPB-UHFFFAOYSA-N" ], "notation": "thiacpd", "prefLabel": "thiacloprid", "semanticRelation": [ "wise:CAS_111988-49-9", "concept:HOKKPVIRMVDYPB-UHFFFAOYSA-N" ] }, { "id": "concept:HOLHYSJJBXSLMV-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "87-65-0", "dbo:formula": "C6H4Cl2O", "dbo:inchi": "InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H", "iupacName": "2,6-Dichlorophenol", "pubchem": "6899", "dbo:smiles": "C1=CC(=C(C(=C1)Cl)O)Cl", "dbp:inchikey": "HOLHYSJJBXSLMV-UHFFFAOYSA-N", "seeAlso": "compound:6899", "closeMatch": [ "wise:CAS_87-65-0", "concept:HOLHYSJJBXSLMV-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_87-65-0", "concept:HOLHYSJJBXSLMV-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_87-65-0", "concept:HOLHYSJJBXSLMV-UHFFFAOYSA-N" ], "notation": "26DClFol", "prefLabel": "2,6-dichloorfenol", "semanticRelation": [ "wise:CAS_87-65-0", "concept:HOLHYSJJBXSLMV-UHFFFAOYSA-N" ] }, { "id": "concept:HORNXRXVQWOLPJ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "108-43-0", "dbo:formula": "C6H5ClO", "dbo:inchi": "InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H", "iupacName": "3-Chlorophenol", "pubchem": "7933", "dbo:smiles": "C1=CC(=CC(=C1)Cl)O", "dbp:inchikey": "HORNXRXVQWOLPJ-UHFFFAOYSA-N", "seeAlso": "compound:7933", "closeMatch": [ "wise:CAS_108-43-0", "concept:HORNXRXVQWOLPJ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_108-43-0", "concept:HORNXRXVQWOLPJ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_108-43-0", "concept:HORNXRXVQWOLPJ-UHFFFAOYSA-N" ], "notation": "3ClFol", "prefLabel": "3-chloorfenol", "semanticRelation": [ "wise:CAS_108-43-0", "concept:HORNXRXVQWOLPJ-UHFFFAOYSA-N" ] }, { "id": "concept:HOXINJBQVZWYGZ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", 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"concept:IIBYAHWJQTYFKB-UHFFFAOYSA-N" ], "notation": "bezafbt", "prefLabel": "bezafibraat", "semanticRelation": [ "wise:CAS_41859-67-0", "concept:IIBYAHWJQTYFKB-UHFFFAOYSA-N" ] }, { "id": "concept:IISBACLAFKSPIT-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "137885-53-1", "27100-33-0", "27360-89-0", "28106-82-3", "37808-08-5", "80-05-7" ], "dbo:formula": "C15H16O2", "dbo:inchi": "InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3", "iupacName": "4-[2-(4-hydroxyphenyl)propan-2-yl]phenol", "pubchem": "6623", "dbo:smiles": "CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O", "dbp:inchikey": "IISBACLAFKSPIT-UHFFFAOYSA-N", "seeAlso": "compound:6623", "altLabel": [ "bisfenol a", "bisfenol-a" ], "closeMatch": [ "wise:CAS_80-05-7", "concept:IISBACLAFKSPIT-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_80-05-7", "concept:IISBACLAFKSPIT-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", 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"dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "26225-79-6", "dbo:formula": "C13H18O5S", "dbo:inchi": "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3", "iupacName": "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate", "pubchem": "33360", "dbo:smiles": "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C", "dbp:inchikey": "IRCMYGHHKLLGHV-UHFFFAOYSA-N", "seeAlso": "compound:33360", "altLabel": "ethofumesate", "closeMatch": [ "wise:CAS_26225-79-6", "concept:IRCMYGHHKLLGHV-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_26225-79-6", "concept:IRCMYGHHKLLGHV-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_26225-79-6", "concept:IRCMYGHHKLLGHV-UHFFFAOYSA-N" ], "notation": "etfmst", "prefLabel": "ethofumesaat", "semanticRelation": [ "wise:CAS_26225-79-6", "concept:IRCMYGHHKLLGHV-UHFFFAOYSA-N" ] }, { "id": "concept:IRIAEXORFWYRCZ-UHFFFAOYSA-N", "type": [ "skos:Concept", 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"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3", "iupacName": "1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol", "pubchem": "4171", "dbo:smiles": "CC(C)NCC(COC1=CC=C(C=C1)CCOC)O", "dbp:inchikey": "IUBSYMUCCVWXPE-UHFFFAOYSA-N", "seeAlso": "compound:4171", "closeMatch": [ "wise:CAS_37350-58-6", "concept:IUBSYMUCCVWXPE-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_37350-58-6", "concept:IUBSYMUCCVWXPE-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_37350-58-6", "concept:IUBSYMUCCVWXPE-UHFFFAOYSA-N" ], "notation": "metpll", "prefLabel": "metoprolol", "semanticRelation": [ "wise:CAS_37350-58-6", "concept:IUBSYMUCCVWXPE-UHFFFAOYSA-N" ] }, { "id": "concept:IUTPYMGCWINGEY-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "31508-00-6", "dbo:formula": "C12H5Cl5", "dbo:inchi": "InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H", "iupacName": "1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene", "pubchem": "35823", "dbo:smiles": "C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "IUTPYMGCWINGEY-UHFFFAOYSA-N", "comment": "VLAR III (D3) 'dioxineachtige PCB's'", "seeAlso": "compound:35823", "altLabel": [ "2,3',4,4',5-pentachloorbifenyl (pcb118)", "PCB 118", "pcb 118" ], "closeMatch": [ "wise:CAS_31508-00-6", "concept:IUTPYMGCWINGEY-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_31508-00-6", "concept:IUTPYMGCWINGEY-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_31508-00-6", "concept:IUTPYMGCWINGEY-UHFFFAOYSA-N" ], "notation": "PCB118", "prefLabel": "2,3',4,4',5-pentachloorbifenyl", "semanticRelation": [ "wise:CAS_31508-00-6", "concept:IUTPYMGCWINGEY-UHFFFAOYSA-N" ] }, { "id": "concept:IVENSCMCQBJAKW-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "1007-28-9", "dbo:formula": "C5H8ClN5", "dbo:inchi": "InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)", "iupacName": "6-Chloro-N-ethyl-1,3,5-triazine-2,4-diamine", "pubchem": "13878", "dbo:smiles": "CCNC1=NC(=NC(=N1)N)Cl", "dbp:inchikey": "IVENSCMCQBJAKW-UHFFFAOYSA-N", "seeAlso": "compound:13878", "closeMatch": [ "wise:CAS_1007-28-9", "concept:IVENSCMCQBJAKW-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_1007-28-9", "concept:IVENSCMCQBJAKW-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_1007-28-9", "concept:IVENSCMCQBJAKW-UHFFFAOYSA-N" ], "notation": "desiC3yatzne", "prefLabel": "desisopropylatrazine", "semanticRelation": [ "wise:CAS_1007-28-9", "concept:IVENSCMCQBJAKW-UHFFFAOYSA-N" ] }, { "id": "concept:IVSZLXZYQVIEFR-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "108-38-3", "dbo:formula": "C8H10", "dbo:inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3", "iupacName": "1,3-Dimethylbenzene", "pubchem": "7929", "dbo:smiles": "CC1=CC(=CC=C1)C", "dbp:inchikey": "IVSZLXZYQVIEFR-UHFFFAOYSA-N", "comment": "VLAR II bijl. 4.4.2 'xylenen'", "seeAlso": "compound:7929", "altLabel": [ "1,3-Dimethylbenzeen", "1,3-xyleen", "m-xyleen" ], "closeMatch": [ "wise:CAS_108-38-3", "concept:IVSZLXZYQVIEFR-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_108-38-3", "concept:IVSZLXZYQVIEFR-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_108-38-3", "concept:IVSZLXZYQVIEFR-UHFFFAOYSA-N" ], "notation": "13xyln", "prefLabel": "meta-xyleen", "semanticRelation": [ "wise:CAS_108-38-3", "concept:IVSZLXZYQVIEFR-UHFFFAOYSA-N" ] }, { "id": "concept:IWDCLRJOBJJRNH-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "106-44-5", "1319-77-3", "2876-02-0", "72269-62-6" ], "dbo:formula": "C7H8O", "dbo:inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3", "iupacName": "4-Methylphenol", "pubchem": "2879", "dbo:smiles": "CC1=CC=C(C=C1)O", "dbp:inchikey": "IWDCLRJOBJJRNH-UHFFFAOYSA-N", "seeAlso": "compound:2879", "altLabel": [ "4-methylfenol (p-cresol)", "p-cresol" ], "closeMatch": [ "wise:CAS_106-44-5", "concept:IWDCLRJOBJJRNH-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_106-44-5", "concept:IWDCLRJOBJJRNH-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_106-44-5", "concept:IWDCLRJOBJJRNH-UHFFFAOYSA-N" ], "notation": [ "pcresl", "scresl" ], "prefLabel": "4-methylfenol", "semanticRelation": [ "wise:CAS_106-44-5", "concept:IWDCLRJOBJJRNH-UHFFFAOYSA-N" ] }, { "id": "concept:IWEDIXLBFLAXBO-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "1918-00-9", "62610-39-3" ], "dbo:formula": "C8H6Cl2O3", "dbo:inchi": "InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)", "iupacName": "3,6-Dichloro-2-methoxybenzoic acid", "pubchem": "3030", "dbo:smiles": "COC1=C(C=CC(=C1C(=O)O)Cl)Cl", "dbp:inchikey": "IWEDIXLBFLAXBO-UHFFFAOYSA-N", "seeAlso": "compound:3030", "closeMatch": [ "wise:CAS_1918-00-9", "concept:IWEDIXLBFLAXBO-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_1918-00-9", "concept:IWEDIXLBFLAXBO-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_1918-00-9", "concept:IWEDIXLBFLAXBO-UHFFFAOYSA-N" ], "notation": "Dcba", "prefLabel": "dicamba", "semanticRelation": [ "wise:CAS_1918-00-9", "concept:IWEDIXLBFLAXBO-UHFFFAOYSA-N" ] }, { "id": "concept:IZUPBVBPLAPZRR-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "101802-54-4", "39390-77-7", "87-86-5" ], "dbo:formula": "C6HCl5O", "dbo:inchi": "InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H", "iupacName": "2,3,4,5,6-Pentachlorophenol", "pubchem": "992", "dbo:smiles": 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"wise:CAS_608-31-1", "concept:JDMFXJULNGEPOI-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_608-31-1", "concept:JDMFXJULNGEPOI-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_608-31-1", "concept:JDMFXJULNGEPOI-UHFFFAOYSA-N" ], "notation": "26DClAn", "prefLabel": "2,6-dichlooraniline", "semanticRelation": [ "wise:CAS_608-31-1", "concept:JDMFXJULNGEPOI-UHFFFAOYSA-N" ] }, { "id": "concept:JEYJJJXOFWNEHN-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "57117-44-9", "dbo:formula": "C12H2Cl6O", "dbo:inchi": "InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H", "iupacName": "1,2,3,6,7,8-HEXACHLORODIBENZOFURAN", "pubchem": "42140", "dbo:smiles": "C1=C2C3=C(C(=C(C=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "JEYJJJXOFWNEHN-UHFFFAOYSA-N", "comment": [ "VLAR II+ bijlagen", "VLAR III (D3, diverse art) 'dioxinen en furanen'" ], "seeAlso": "compound:42140", 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"compound:23989", "altLabel": "Uranium 238", "closeMatch": [ "wise:CAS_7440-61-1", "concept:JFALSRSLKYAFGM-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_7440-61-1", "concept:JFALSRSLKYAFGM-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7440-61-1", "concept:JFALSRSLKYAFGM-UHFFFAOYSA-N" ], "notation": [ "U", "U238" ], "prefLabel": "uranium", "semanticRelation": [ "wise:CAS_7440-61-1", "concept:JFALSRSLKYAFGM-UHFFFAOYSA-N" ] }, { "id": "concept:JHBKHLUZVFWLAG-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "12408-10-5", "63697-22-3", "95-94-3" ], "dbo:formula": "C6H2Cl4", "dbo:inchi": "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H", "iupacName": "1,2,4,5-Tetrachlorobenzene", "pubchem": "7270", "dbo:smiles": "C1=C(C(=CC(=C1Cl)Cl)Cl)Cl", "dbp:inchikey": "JHBKHLUZVFWLAG-UHFFFAOYSA-N", "seeAlso": "compound:7270", "altLabel": "tetrachloorbenzeen", "closeMatch": [ 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"concept:JHJOOSLFWRRSGU-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_299-84-3", "concept:JHJOOSLFWRRSGU-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_299-84-3", "concept:JHJOOSLFWRRSGU-UHFFFAOYSA-N" ], "notation": "fenClfs", "prefLabel": "fenchloorfos", "semanticRelation": [ "wise:CAS_299-84-3", "concept:JHJOOSLFWRRSGU-UHFFFAOYSA-N" ] }, { "id": "concept:JHSPCUHPSIUQRB-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "2008-58-4", "70852-53-8" ], "dbo:formula": "C7H5Cl2NO", "dbo:inchi": "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)", "iupacName": "2,6-Dichlorobenzamide", "pubchem": "16183", "dbo:smiles": "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl", "dbp:inchikey": "JHSPCUHPSIUQRB-UHFFFAOYSA-N", "seeAlso": "compound:16183", "altLabel": "2,6-dichlorobenzamide (bam)", "closeMatch": [ "wise:CAS_2008-58-4", "concept:JHSPCUHPSIUQRB-UHFFFAOYSA-N" ], "exactMatch": [ 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"dbo:formula": "C10H13ClN2O", "dbo:inchi": "InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)", "iupacName": "3-(3-chloro-4-methylphenyl)-1,1-dimethylurea", "pubchem": "27375", "dbo:smiles": "CC1=C(C=C(C=C1)NC(=O)N(C)C)Cl", "dbp:inchikey": "JXCGFZXSOMJFOA-UHFFFAOYSA-N", "seeAlso": "compound:27375", "altLabel": "chlorotoluron", "closeMatch": [ "wise:CAS_15545-48-9", "concept:JXCGFZXSOMJFOA-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_15545-48-9", "concept:JXCGFZXSOMJFOA-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_15545-48-9", "concept:JXCGFZXSOMJFOA-UHFFFAOYSA-N" ], "notation": "Cltlrn", "prefLabel": "chloortoluron", "semanticRelation": [ "wise:CAS_15545-48-9", "concept:JXCGFZXSOMJFOA-UHFFFAOYSA-N" ] }, { "id": "concept:JXSJBGJIGXNWCI-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "11096-67-6", "121-75-5" ], "dbo:formula": "C10H19O6PS2", "dbo:inchi": "InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3", "iupacName": "diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate", "pubchem": "4004", "dbo:smiles": "CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC", "dbp:inchikey": "JXSJBGJIGXNWCI-UHFFFAOYSA-N", "seeAlso": "compound:4004", "closeMatch": [ "wise:CAS_121-75-5", "concept:JXSJBGJIGXNWCI-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_121-75-5", "concept:JXSJBGJIGXNWCI-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_121-75-5", "concept:JXSJBGJIGXNWCI-UHFFFAOYSA-N" ], "notation": "malton", "prefLabel": "malathion", "semanticRelation": [ "wise:CAS_121-75-5", "concept:JXSJBGJIGXNWCI-UHFFFAOYSA-N" ] }, { "id": "concept:KAATUXNTWXVJKI-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "137497-61-1", "139203-31-9", "142443-95-6", "146909-55-9", "159940-28-0", "186554-45-0", "52315-07-8", "69865-47-0", "71697-59-1", "86752-99-0", "86753-92-6", "88161-75-5", "97955-44-7" ], "dbo:formula": "C22H19Cl2NO3", "dbo:inchi": "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3", "iupacName": "[cyano-[3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate", "pubchem": "2912", "dbo:smiles": "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C", "dbp:inchikey": "KAATUXNTWXVJKI-UHFFFAOYSA-N", "seeAlso": "compound:2912", "closeMatch": [ "wise:CAS_52315-07-8", "concept:KAATUXNTWXVJKI-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_52315-07-8", "concept:KAATUXNTWXVJKI-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_52315-07-8", "concept:KAATUXNTWXVJKI-UHFFFAOYSA-N" ], "notation": "cypmtn", "prefLabel": "cypermethrin", "semanticRelation": [ "wise:CAS_52315-07-8", "concept:KAATUXNTWXVJKI-UHFFFAOYSA-N" ] }, { "id": "concept:KCXMKQUNVWSEMD-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "100-44-7", "25168-05-2", "27987-13-9" ], "dbo:formula": "C7H7Cl", "dbo:inchi": "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2", "iupacName": "Chloromethylbenzene", "pubchem": "7503", "dbo:smiles": "C1=CC=C(C=C1)CCl", "dbp:inchikey": "KCXMKQUNVWSEMD-UHFFFAOYSA-N", "comment": "VLAREM II bijlage 4.4.2", "seeAlso": "compound:7503", "altLabel": [ "alfa-chloortolueen (benzylchloride)", "benzylchloride" ], "closeMatch": [ "wise:CAS_100-44-7", "concept:KCXMKQUNVWSEMD-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_100-44-7", "concept:KCXMKQUNVWSEMD-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_100-44-7", "concept:KCXMKQUNVWSEMD-UHFFFAOYSA-N" ], "notation": "benzCl", "prefLabel": "alfa-chloortolueen", "semanticRelation": [ "wise:CAS_100-44-7", "concept:KCXMKQUNVWSEMD-UHFFFAOYSA-N" ] }, { "id": "concept:KCXVZYZYPLLWCC-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "10058-42-1", "13440-78-3", "161122-33-4", "20539-27-9", "26627-46-3", "30485-87-1", "30485-88-2", "30485-90-6", "32757-10-1", "60-00-4", "94108-75-5" ], "dbo:formula": "C10H16N2O8", "dbo:inchi": "InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)", "iupacName": "2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetic acid", "pubchem": "6049", "dbo:smiles": "C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O", "dbp:inchikey": "KCXVZYZYPLLWCC-UHFFFAOYSA-N", "seeAlso": "compound:6049", "altLabel": [ "ethyleendiaminetetra-azijnzuur", "ethyleendiaminetetraethaanzuur (EDTA)" ], "closeMatch": [ "wise:CAS_60-00-4", "concept:KCXVZYZYPLLWCC-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_60-00-4", "concept:KCXVZYZYPLLWCC-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": 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"wise:CAS_156-60-5", "wise:CAS_540-59-0", "concept:KFUSEUYYWQURPO-OWOJBTEDSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_156-60-5", "wise:CAS_540-59-0", "concept:KFUSEUYYWQURPO-OWOJBTEDSA-N" ], "notation": [ "12DClC2e", "t12DClC2e" ], "prefLabel": "1,2-dichlooretheen", "semanticRelation": [ "wise:CAS_156-60-5", "wise:CAS_540-59-0", "concept:KFUSEUYYWQURPO-OWOJBTEDSA-N" ] }, { "id": "concept:KFUSEUYYWQURPO-UPHRSURJSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "156-59-2", "dbo:formula": "C2H2Cl2", "dbo:inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-", "iupacName": "(Z)-1,2-Dichloroethene", "pubchem": "643833", "dbo:smiles": "C(=CCl)Cl", "dbp:inchikey": "KFUSEUYYWQURPO-UPHRSURJSA-N", "seeAlso": "compound:643833", "altLabel": "1,2-dichlooretheen,cis", "closeMatch": [ "wise:CAS_156-59-2", "concept:KFUSEUYYWQURPO-UPHRSURJSA-N" ], "exactMatch": [ "wise:CAS_156-59-2", "concept:KFUSEUYYWQURPO-UPHRSURJSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_156-59-2", "concept:KFUSEUYYWQURPO-UPHRSURJSA-N" ], "notation": "c12DClC2e", "prefLabel": "cis-1,2-dichlooretheen", "semanticRelation": [ "wise:CAS_156-59-2", "concept:KFUSEUYYWQURPO-UPHRSURJSA-N" ] }, { "id": "concept:KHNYNFUTFKJLDD-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "205-82-3", "dbo:formula": "C20H12", "dbo:inchi": "InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H", "iupacName": "pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene", "pubchem": "9152", "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC5=C4C3=CC=C5", "dbp:inchikey": "KHNYNFUTFKJLDD-UHFFFAOYSA-N", "seeAlso": "compound:9152", "closeMatch": [ "wise:CAS_205-82-3", "concept:KHNYNFUTFKJLDD-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_205-82-3", "concept:KHNYNFUTFKJLDD-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_205-82-3", "concept:KHNYNFUTFKJLDD-UHFFFAOYSA-N" ], "notation": "BjF", "prefLabel": "benzo(j)fluorantheen", "semanticRelation": [ "wise:CAS_205-82-3", "concept:KHNYNFUTFKJLDD-UHFFFAOYSA-N" ] }, { "id": "concept:KMAQZIILEGKYQZ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "121-73-3", "dbo:formula": "C6H4ClNO2", "dbo:inchi": "InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H", "iupacName": "1-Chloro-3-nitrobenzene", "pubchem": "8489", "dbo:smiles": "C1=CC(=CC(=C1)Cl)[N+](=O)[O-]", "dbp:inchikey": "KMAQZIILEGKYQZ-UHFFFAOYSA-N", "seeAlso": "compound:8489", "closeMatch": [ "wise:CAS_121-73-3", "concept:KMAQZIILEGKYQZ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_121-73-3", "concept:KMAQZIILEGKYQZ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_121-73-3", "concept:KMAQZIILEGKYQZ-UHFFFAOYSA-N" ], "notation": "1Cl3NO2Ben", "prefLabel": "1-chloor-3-nitrobenzeen", "semanticRelation": [ "wise:CAS_121-73-3", "concept:KMAQZIILEGKYQZ-UHFFFAOYSA-N" ] }, { "id": "concept:KNKRKFALVUDBJE-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "26198-63-0", "68390-96-5", "78-87-5" ], "dbo:formula": "C3H6Cl2", "dbo:inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3", "iupacName": "1,2-Dichloropropane", "pubchem": "6564", "dbo:smiles": "CC(CCl)Cl", "dbp:inchikey": "KNKRKFALVUDBJE-UHFFFAOYSA-N", "seeAlso": "compound:6564", "closeMatch": [ "wise:CAS_78-87-5", "concept:KNKRKFALVUDBJE-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_78-87-5", "concept:KNKRKFALVUDBJE-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_78-87-5", "concept:KNKRKFALVUDBJE-UHFFFAOYSA-N" ], "notation": "12DClC3a", "prefLabel": "1,2-dichloorpropaan", "semanticRelation": [ "wise:CAS_78-87-5", "concept:KNKRKFALVUDBJE-UHFFFAOYSA-N" ] }, { "id": "concept:KPHWPUGNDIVLNH-UHFFFAOYSA-M", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "15307-79-6", "dbo:formula": "C14H10Cl2NNaO2", "dbo:inchi": "InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1", "iupacName": "sodium 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate", "pubchem": "27194", "dbo:smiles": "C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+]", "dbp:inchikey": "KPHWPUGNDIVLNH-UHFFFAOYSA-M", "seeAlso": "compound:27194", "closeMatch": [ "wise:CAS_15307-79-6", "concept:KPHWPUGNDIVLNH-UHFFFAOYSA-M" ], "exactMatch": [ "wise:CAS_15307-79-6", "concept:KPHWPUGNDIVLNH-UHFFFAOYSA-M" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_15307-79-6", "concept:KPHWPUGNDIVLNH-UHFFFAOYSA-M" ], "prefLabel": "diclofenac, natrium", "semanticRelation": [ "wise:CAS_15307-79-6", "concept:KPHWPUGNDIVLNH-UHFFFAOYSA-M" ] }, { "id": "concept:KQCMTOWTPBNWDB-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "554-00-7", "dbo:formula": "C6H5Cl2N", "dbo:inchi": "InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2", "iupacName": "2,4-Dichloroaniline", "pubchem": "11123", "dbo:smiles": "C1=CC(=C(C=C1Cl)Cl)N", "dbp:inchikey": "KQCMTOWTPBNWDB-UHFFFAOYSA-N", "seeAlso": "compound:11123", "closeMatch": [ "wise:CAS_554-00-7", "concept:KQCMTOWTPBNWDB-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_554-00-7", "concept:KQCMTOWTPBNWDB-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_554-00-7", "concept:KQCMTOWTPBNWDB-UHFFFAOYSA-N" ], "notation": "24DClAn", "prefLabel": "2,4-dichlooraniline", "semanticRelation": [ "wise:CAS_554-00-7", "concept:KQCMTOWTPBNWDB-UHFFFAOYSA-N" ] }, { "id": "concept:KRHYYFGTRYWZRS-UHFFFAOYSA-M", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "16984-48-8", "dbo:formula": "F-", "dbo:inchi": "InChI=1S/FH/h1H/p-1", "iupacName": "fluoride", "pubchem": "28179", "dbo:smiles": "[F-]", "dbp:inchikey": "KRHYYFGTRYWZRS-UHFFFAOYSA-M", "seeAlso": "compound:28179", "closeMatch": [ "wise:CAS_16984-48-8", "concept:KRHYYFGTRYWZRS-UHFFFAOYSA-M" ], "exactMatch": [ "wise:CAS_16984-48-8", "concept:KRHYYFGTRYWZRS-UHFFFAOYSA-M" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_16984-48-8", "concept:KRHYYFGTRYWZRS-UHFFFAOYSA-M" ], "notation": "F", "prefLabel": "fluoride", "semanticRelation": [ "wise:CAS_16984-48-8", "concept:KRHYYFGTRYWZRS-UHFFFAOYSA-M" ] }, { "id": "concept:KSMVNVHUTQZITP-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "51207-31-9", "dbo:formula": "C12H4Cl4O", "dbo:inchi": "InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H", "iupacName": "2,3,7,8-TETRACHLORODIBENZOFURAN", "pubchem": "39929", "dbo:smiles": "C1=C2C3=CC(=C(C=C3OC2=CC(=C1Cl)Cl)Cl)Cl", "dbp:inchikey": "KSMVNVHUTQZITP-UHFFFAOYSA-N", "comment": [ "VLAR II+ bijlagen", "VLAR III (D3, diverse art) 'dioxinen en furanen'" ], "seeAlso": "compound:39929", "altLabel": [ " 2,3,7,8-tetrachloordibenzofuraan", "2,3,7,8-tetrachloordibenzofuraan (tecdf)", "2,3,7,8-tetrachloordibenzofuran" ], "closeMatch": [ "wise:CAS_51207-31-9", "concept:KSMVNVHUTQZITP-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_51207-31-9", "concept:KSMVNVHUTQZITP-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_51207-31-9", "concept:KSMVNVHUTQZITP-UHFFFAOYSA-N" ], "notation": "PCDF83", "prefLabel": "2,3,7,8-tetrachloordibenzofuraan", "semanticRelation": [ "wise:CAS_51207-31-9", "concept:KSMVNVHUTQZITP-UHFFFAOYSA-N" ] }, { "id": "concept:KUAZQDVKQLNFPE-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "12680-07-8", "12680-62-5", "137-26-8", "39456-80-9", "56645-31-9", "66173-72-6", "93196-73-7" ], "dbo:formula": "C6H12N2S4", "dbo:inchi": "InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3", "iupacName": "dimethylcarbamothioylsulfanyl dimethylaminomethanedithioate", "pubchem": "5455", "dbo:smiles": "CN(C)C(=S)SSC(=S)N(C)C", "dbp:inchikey": "KUAZQDVKQLNFPE-UHFFFAOYSA-N", "seeAlso": "compound:5455", "closeMatch": [ "wise:CAS_137-26-8", "concept:KUAZQDVKQLNFPE-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_137-26-8", "concept:KUAZQDVKQLNFPE-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_137-26-8", "concept:KUAZQDVKQLNFPE-UHFFFAOYSA-N" ], "notation": "thirm", "prefLabel": "thiram", "semanticRelation": [ "wise:CAS_137-26-8", "concept:KUAZQDVKQLNFPE-UHFFFAOYSA-N" ] }, { "id": "concept:KUFFULVDNCHOFZ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "105-67-9", "dbo:formula": "C8H10O", "dbo:inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3", "iupacName": "2,4-Dimethylphenol", "pubchem": "7771", "dbo:smiles": "CC1=CC(=C(C=C1)O)C", "dbp:inchikey": "KUFFULVDNCHOFZ-UHFFFAOYSA-N", "comment": "VLAREM II bijlage 4.4.2", "seeAlso": "compound:7771", "altLabel": [ "2,4-dimethylfenol", "2,4-xylenol" ], "closeMatch": [ "wise:CAS_105-67-9", "concept:KUFFULVDNCHOFZ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_105-67-9", "concept:KUFFULVDNCHOFZ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_105-67-9", "concept:KUFFULVDNCHOFZ-UHFFFAOYSA-N" ], "notation": "24DC1yFol", "prefLabel": "2,4-xylenol", "semanticRelation": [ "wise:CAS_105-67-9", "concept:KUFFULVDNCHOFZ-UHFFFAOYSA-N" ] }, { "id": "concept:KVGLBTYUCJYMND-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "66767-39-3", "944-22-9" ], "dbo:formula": "C10H15OPS2", "dbo:inchi": "InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3", "iupacName": "ethoxy-ethyl-phenylsulfanyl-sulfanylidenephosphorane", "pubchem": "13676", "dbo:smiles": "CCOP(=S)(CC)SC1=CC=CC=C1", "dbp:inchikey": "KVGLBTYUCJYMND-UHFFFAOYSA-N", "seeAlso": "compound:13676", "closeMatch": [ "wise:CAS_944-22-9", "concept:KVGLBTYUCJYMND-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_944-22-9", "concept:KVGLBTYUCJYMND-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_944-22-9", "concept:KVGLBTYUCJYMND-UHFFFAOYSA-N" ], "notation": "fonfs", "prefLabel": "fonofos", "semanticRelation": [ "wise:CAS_944-22-9", "concept:KVGLBTYUCJYMND-UHFFFAOYSA-N" ] }, { "id": "concept:LAHWLEDBADHJGA-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "37680-73-2", "dbo:formula": "C12H5Cl5", "dbo:inchi": "InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H", "iupacName": "1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene", "pubchem": "37807", "dbo:smiles": "C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl", "dbp:inchikey": "LAHWLEDBADHJGA-UHFFFAOYSA-N", "seeAlso": "compound:37807", "altLabel": [ "2,2',4,5,5'-pentachloorbifenyl (pcb101)", "2,2',4,5,5'-pentachloorbifenyl", "PCB-101", "pcb 101" ], "closeMatch": [ "wise:CAS_37680-73-2", "concept:LAHWLEDBADHJGA-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_37680-73-2", "concept:LAHWLEDBADHJGA-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_37680-73-2", "concept:LAHWLEDBADHJGA-UHFFFAOYSA-N" ], "notation": "PCB101", "prefLabel": "pcb-101", "semanticRelation": [ "wise:CAS_37680-73-2", "concept:LAHWLEDBADHJGA-UHFFFAOYSA-N" ] }, { "id": "concept:LCCNCVORNKJIRZ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "110616-89-2", "11111-91-4", "56-38-2", "8057-70-3" ], "dbo:formula": "C10H14NO5PS", "dbo:inchi": "InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3", "iupacName": "diethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane", "pubchem": "991", "dbo:smiles": "CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]", "dbp:inchikey": "LCCNCVORNKJIRZ-UHFFFAOYSA-N", "seeAlso": "compound:991", "altLabel": "parathion-ethyl", "closeMatch": [ "wise:CAS_56-38-2", "concept:LCCNCVORNKJIRZ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_56-38-2", "concept:LCCNCVORNKJIRZ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_56-38-2", "concept:LCCNCVORNKJIRZ-UHFFFAOYSA-N" ], "notation": "C2yprton", "prefLabel": "ethylparathion", "semanticRelation": [ "wise:CAS_56-38-2", "concept:LCCNCVORNKJIRZ-UHFFFAOYSA-N" ] }, { "id": "concept:LCXMEXLGMKFLQO-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "38380-08-4", "dbo:formula": "C12H4Cl6", "dbo:inchi": "InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H", "iupacName": "1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene", "pubchem": "38019", "dbo:smiles": "C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "LCXMEXLGMKFLQO-UHFFFAOYSA-N", "comment": "VLAR III (D3) 'dioxineachtige PCB's'", "seeAlso": "compound:38019", "altLabel": [ "2,3,3',4,4',5-hexachloorbifenyl", "pcb 156" ], "closeMatch": [ "wise:CAS_38380-08-4", "concept:LCXMEXLGMKFLQO-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_38380-08-4", "concept:LCXMEXLGMKFLQO-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_38380-08-4", "concept:LCXMEXLGMKFLQO-UHFFFAOYSA-N" ], "notation": "PCB156", "prefLabel": "PCB 156", "semanticRelation": [ "wise:CAS_38380-08-4", "concept:LCXMEXLGMKFLQO-UHFFFAOYSA-N" ] }, { "id": "concept:LDVVMCZRFWMZSG-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "120528-25-8", "1321-42-2", "133-06-2", "37335-15-2" ], "dbo:formula": "C9H8Cl3NO2S", "dbo:inchi": "InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2", "iupacName": "2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione", "pubchem": "8606", "dbo:smiles": "C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl", "dbp:inchikey": "LDVVMCZRFWMZSG-UHFFFAOYSA-N", "seeAlso": "compound:8606", "closeMatch": [ "wise:CAS_133-06-2", "concept:LDVVMCZRFWMZSG-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_133-06-2", "concept:LDVVMCZRFWMZSG-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_133-06-2", "concept:LDVVMCZRFWMZSG-UHFFFAOYSA-N" ], "notation": "captn", "prefLabel": "captan", "semanticRelation": [ "wise:CAS_133-06-2", "concept:LDVVMCZRFWMZSG-UHFFFAOYSA-N" ] }, { "id": "concept:LELOWRISYMNNSU-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "191234-22-7", "341972-31-4", "74-90-8" ], "dbo:formula": "CHN", "dbo:inchi": "InChI=1S/CHN/c1-2/h1H", "iupacName": "Formonitrile", "pubchem": "768", "dbo:smiles": "C#N", "dbp:inchikey": "LELOWRISYMNNSU-UHFFFAOYSA-N", "comment": [ "VLAR II Art. 5.20.2.7. 'HCN'", "VLAR II bijl. 4.4.2 'cyaanwaterstof'" ], "seeAlso": "compound:768", "altLabel": "waterstofcyanide (HCN)", "closeMatch": [ "wise:CAS_74-90-8", "concept:LELOWRISYMNNSU-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_74-90-8", "concept:LELOWRISYMNNSU-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_74-90-8", "concept:LELOWRISYMNNSU-UHFFFAOYSA-N" ], "notation": "HCN", "prefLabel": "waterstofcyanide", "semanticRelation": [ "wise:CAS_74-90-8", "concept:LELOWRISYMNNSU-UHFFFAOYSA-N" ] }, { "id": "concept:LEONUFNNVUYDNQ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "14782-33-3", "195161-77-4", "22537-31-1", "22541-77-1", "24763-58-4", "7440-62-2" ], "dbo:formula": "V", "dbo:inchi": "InChI=1S/V", "iupacName": "Vanadium", "pubchem": "23990", "dbo:smiles": "[V]", "dbp:inchikey": "LEONUFNNVUYDNQ-UHFFFAOYSA-N", "comment": [ "VLAR II D5 'vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)' of 'vanadium'", "VLAR II bijl. 4.4.2 'vanadium en zijn verbindingen, uitgedrukt in V'", "VLAR III (D3) 'Vanadium en vanadiumverbindingen, uitgedrukt in vanadium (V)'", "VLAR III (D3) 'vanadium'", "VLAR III (D3, diverse art) 'V'" ], "seeAlso": "compound:23990", "altLabel": "Vanadium (V)", "closeMatch": [ "wise:CAS_7440-62-2", "concept:LEONUFNNVUYDNQ-UHFFFAOYSA-N" ], "definition": "vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)", "exactMatch": [ "wise:CAS_7440-62-2", "concept:LEONUFNNVUYDNQ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7440-62-2", "concept:LEONUFNNVUYDNQ-UHFFFAOYSA-N" ], "notation": "V", "note": "vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)", "prefLabel": "vanadium", "semanticRelation": [ "wise:CAS_7440-62-2", "concept:LEONUFNNVUYDNQ-UHFFFAOYSA-N" ] }, { "id": "concept:LFULEKSKNZEWOE-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "110343-36-7", "11096-32-5", "709-98-8" ], "dbo:formula": "C9H9Cl2NO", "dbo:inchi": "InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)", "iupacName": "N-(3,4-Dichlorophenyl)propanamide", "pubchem": "4933", "dbo:smiles": "CCC(=O)NC1=CC(=C(C=C1)Cl)Cl", "dbp:inchikey": "LFULEKSKNZEWOE-UHFFFAOYSA-N", "seeAlso": "compound:4933", "closeMatch": [ "wise:CAS_709-98-8", "concept:LFULEKSKNZEWOE-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_709-98-8", "concept:LFULEKSKNZEWOE-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_709-98-8", "concept:LFULEKSKNZEWOE-UHFFFAOYSA-N" ], "notation": "propnl", "prefLabel": "propanil", "semanticRelation": [ "wise:CAS_709-98-8", "concept:LFULEKSKNZEWOE-UHFFFAOYSA-N" ] }, { "id": "concept:LGIRBUBHIWTVCK-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "19408-74-3", "dbo:formula": "C12H2Cl6O2", "dbo:inchi": "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H", "iupacName": "1,2,3,7,8,9-hexachlorooxanthrene", "pubchem": "29575", "dbo:smiles": "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl", "dbp:inchikey": "LGIRBUBHIWTVCK-UHFFFAOYSA-N", "comment": [ "VLAR II+ bijlagen", "VLAR III (D3, diverse art) 'dioxinen en furanen'" ], "seeAlso": "compound:29575", "altLabel": [ "1,2,3,7,8,9-hexachloordibenzo-p-dioxine", "1,2,3,7,8,9-hexachloordibenzo-para-dioxine", "1,2,3,7,8,9-hexachloordibenzodioxine (hxcdd)", "1,2,3,7,8,9-hexachloordibenzodioxine" ], "closeMatch": [ "wise:CAS_19408-74-3", "concept:LGIRBUBHIWTVCK-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_19408-74-3", "concept:LGIRBUBHIWTVCK-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_19408-74-3", "concept:LGIRBUBHIWTVCK-UHFFFAOYSA-N" ], "notation": "PCDD70", "prefLabel": " 1,2,3,7,8,9-hexachloordibenzodioxine", "semanticRelation": [ "wise:CAS_19408-74-3", "concept:LGIRBUBHIWTVCK-UHFFFAOYSA-N" ] }, { "id": "concept:LGXVIGDEPROXKC-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "120025-75-4", "25038-48-6", "37243-65-5", "39373-50-7", "50861-72-8", "50926-92-6", "56590-95-5", "75-35-4", "9002-85-1", "9050-12-8" ], "dbo:formula": "C2H2Cl2", "dbo:inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2", "iupacName": "1,1-Dichloroethene", "pubchem": "6366", "dbo:smiles": "C=C(Cl)Cl", "dbp:inchikey": "LGXVIGDEPROXKC-UHFFFAOYSA-N", "comment": "VLAR II bijl. 4.4.2", "seeAlso": "compound:6366", "altLabel": [ "1,1-dichloorethaan", "1,1-dichlooretheen" ], "closeMatch": [ "wise:CAS_75-35-4", "concept:LGXVIGDEPROXKC-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_75-35-4", "concept:LGXVIGDEPROXKC-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_75-35-4", "concept:LGXVIGDEPROXKC-UHFFFAOYSA-N" ], "notation": "11DClC2e", "prefLabel": "1,1-dichloorethyleen", "semanticRelation": [ "wise:CAS_75-35-4", "concept:LGXVIGDEPROXKC-UHFFFAOYSA-N" ] }, { "id": "concept:LHHGDZSESBACKH-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "143-50-0", "dbo:formula": "C10Cl10O", "dbo:inchi": "InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20", "iupacName": "1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one", "pubchem": "299", "dbo:smiles": "C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "LHHGDZSESBACKH-UHFFFAOYSA-N", "seeAlso": "compound:299", "altLabel": "chloordecon", "closeMatch": [ "wise:CAS_143-50-0", "concept:LHHGDZSESBACKH-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_143-50-0", "concept:LHHGDZSESBACKH-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_143-50-0", "concept:LHHGDZSESBACKH-UHFFFAOYSA-N" ], "notation": "cldcne", "prefLabel": "chloordecone", "semanticRelation": [ "wise:CAS_143-50-0", "concept:LHHGDZSESBACKH-UHFFFAOYSA-N" ] }, { "id": "concept:LHJGJYXLEPZJPM-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "77001-45-7", "95-95-4" ], "dbo:formula": "C6H3Cl3O", "dbo:inchi": "InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H", "iupacName": "2,4,5-Trichlorophenol", "pubchem": "7271", "dbo:smiles": "C1=C(C(=CC(=C1Cl)Cl)Cl)O", "dbp:inchikey": "LHJGJYXLEPZJPM-UHFFFAOYSA-N", "seeAlso": "compound:7271", "closeMatch": [ "wise:CAS_95-95-4", "concept:LHJGJYXLEPZJPM-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_95-95-4", "concept:LHJGJYXLEPZJPM-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_95-95-4", "concept:LHJGJYXLEPZJPM-UHFFFAOYSA-N" ], "notation": "245TClFol", "prefLabel": "2,4,5-trichloorfenol", "semanticRelation": [ "wise:CAS_95-95-4", "concept:LHJGJYXLEPZJPM-UHFFFAOYSA-N" ] }, { "id": "concept:LHRCREOYAASXPZ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "53-70-3", "56-56-4" ], "dbo:formula": "C22H14", "dbo:inchi": "InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H", "iupacName": "naphtho[1,2-b]phenanthrene", "pubchem": "5889", "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32", "dbp:inchikey": "LHRCREOYAASXPZ-UHFFFAOYSA-N", "comment": [ "VLAR II bijl. 4.4.2", "VLAR II (D2)" ], "seeAlso": "compound:5889", "altLabel": [ "dibenzo(a,h)an-traceen", "dibenzo(a,h)antraceen" ], "closeMatch": [ "wise:CAS_53-70-3", "concept:LHRCREOYAASXPZ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_53-70-3", "concept:LHRCREOYAASXPZ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_53-70-3", "concept:LHRCREOYAASXPZ-UHFFFAOYSA-N" ], "notation": "DBahAnt", "prefLabel": "dibenzo(a,h)anthraceen", "semanticRelation": [ "wise:CAS_53-70-3", "concept:LHRCREOYAASXPZ-UHFFFAOYSA-N" ] }, { "id": "concept:LINPIYWFGCPVIE-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "88-06-2", "dbo:formula": "C6H3Cl3O", "dbo:inchi": "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H", "iupacName": "2,4,6-Trichlorophenol", "pubchem": "6914", "dbo:smiles": "C1=C(C=C(C(=C1Cl)O)Cl)Cl", "dbp:inchikey": "LINPIYWFGCPVIE-UHFFFAOYSA-N", "seeAlso": "compound:6914", "closeMatch": [ "wise:CAS_88-06-2", "concept:LINPIYWFGCPVIE-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_88-06-2", "concept:LINPIYWFGCPVIE-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_88-06-2", "concept:LINPIYWFGCPVIE-UHFFFAOYSA-N" ], "notation": "246TClFol", "prefLabel": "2,4,6-trichloorfenol", "semanticRelation": [ "wise:CAS_88-06-2", "concept:LINPIYWFGCPVIE-UHFFFAOYSA-N" ] }, { "id": "concept:LKJPSUCKSLORMF-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "1746-81-2", "56449-36-6" ], "dbo:formula": "C9H11ClN2O2", "dbo:inchi": "InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)", "iupacName": "3-(4-Chlorophenyl)-1-methoxy-1-methylurea", "pubchem": "15629", "dbo:smiles": "CN(C(=O)NC1=CC=C(C=C1)Cl)OC", "dbp:inchikey": "LKJPSUCKSLORMF-UHFFFAOYSA-N", "seeAlso": "compound:15629", "closeMatch": [ "wise:CAS_1746-81-2", "concept:LKJPSUCKSLORMF-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_1746-81-2", "concept:LKJPSUCKSLORMF-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_1746-81-2", "concept:LKJPSUCKSLORMF-UHFFFAOYSA-N" ], "notation": "Mlnrn", "prefLabel": "monolinuron", "semanticRelation": [ "wise:CAS_1746-81-2", "concept:LKJPSUCKSLORMF-UHFFFAOYSA-N" ] }, { "id": "concept:LKPLKUMXSAEKID-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "39378-26-2", "55353-34-9", "56573-57-0", "82-68-8" ], "dbo:formula": "C6Cl5NO2", "dbo:inchi": "InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9", "iupacName": "1,2,3,4,5-pentachloro-6-nitrobenzene", "pubchem": "6720", "dbo:smiles": "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]", "dbp:inchikey": "LKPLKUMXSAEKID-UHFFFAOYSA-N", "seeAlso": "compound:6720", "altLabel": "pentachloornitrobenzeen", "closeMatch": [ "wise:CAS_82-68-8", "concept:LKPLKUMXSAEKID-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_82-68-8", "concept:LKPLKUMXSAEKID-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_82-68-8", "concept:LKPLKUMXSAEKID-UHFFFAOYSA-N" ], "notation": "PeClNO2Ben", "prefLabel": "pentachloornitrobenzeen (quintozeen)", "semanticRelation": [ "wise:CAS_82-68-8", "concept:LKPLKUMXSAEKID-UHFFFAOYSA-N" ] }, { "id": "concept:LLWADFLAOKUBDR-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "94-81-5", "dbo:formula": "C11H13ClO3", "dbo:inchi": "InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)", "iupacName": "4-(4-Chloro-2-methylphenoxy)butanoic acid", "pubchem": "7207", "dbo:smiles": "CC1=C(C=CC(=C1)Cl)OCCCC(=O)O", "dbp:inchikey": "LLWADFLAOKUBDR-UHFFFAOYSA-N", "seeAlso": "compound:7207", "altLabel": [ "4-(4-chloor-2-methylfenoxy)boterzuur", "4-(4-chloro-2-methylfenoxy)boterzuur (mcpb)" ], "closeMatch": [ "wise:CAS_94-81-5", "concept:LLWADFLAOKUBDR-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_94-81-5", "concept:LLWADFLAOKUBDR-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_94-81-5", "concept:LLWADFLAOKUBDR-UHFFFAOYSA-N" ], "notation": "MCPB", "prefLabel": "2-methyl-4-chloorfenoxyboterzuur", "semanticRelation": [ "wise:CAS_94-81-5", "concept:LLWADFLAOKUBDR-UHFFFAOYSA-N" ] }, { "id": "concept:LLYXJBROWQDVMI-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "121-86-8", "dbo:formula": "C7H6ClNO2", "dbo:inchi": "InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3", "iupacName": "2-Chloro-1-methyl-4-nitrobenzene", "pubchem": "8491", "dbo:smiles": "CC1=C(C=C(C=C1)[N+](=O)[O-])Cl", "dbp:inchikey": "LLYXJBROWQDVMI-UHFFFAOYSA-N", "seeAlso": "compound:8491", "closeMatch": [ "wise:CAS_121-86-8", "concept:LLYXJBROWQDVMI-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_121-86-8", "concept:LLYXJBROWQDVMI-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_121-86-8", "concept:LLYXJBROWQDVMI-UHFFFAOYSA-N" ], "notation": "2Cl4NO2Tol", "prefLabel": "2-chloor-4-nitrotolueen", "semanticRelation": [ "wise:CAS_121-86-8", "concept:LLYXJBROWQDVMI-UHFFFAOYSA-N" ] }, { "id": "concept:LMKQNTMFZLAJDV-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "30125-63-4", "dbo:formula": "C7H12ClN5", "dbo:inchi": "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)", "iupacName": "N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine", "pubchem": "108201", "dbo:smiles": "CC(C)(C)NC1=NC(=NC(=N1)N)Cl", "dbp:inchikey": "LMKQNTMFZLAJDV-UHFFFAOYSA-N", "seeAlso": "compound:108201", "closeMatch": [ "wise:CAS_30125-63-4", "concept:LMKQNTMFZLAJDV-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_30125-63-4", "concept:LMKQNTMFZLAJDV-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_30125-63-4", "concept:LMKQNTMFZLAJDV-UHFFFAOYSA-N" ], "notation": "desC2ytC4yaz", "prefLabel": "desethylterbutylazine", "semanticRelation": [ "wise:CAS_30125-63-4", "concept:LMKQNTMFZLAJDV-UHFFFAOYSA-N" ] }, { "id": "concept:LQNUZADURLCDLV-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "26969-40-4", "98-95-3" ], "dbo:formula": "C6H5NO2", "dbo:inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H", 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"PUYXTUJWRLOUCW-UHFFFAOYSA-N", "seeAlso": "compound:86160", "closeMatch": [ "wise:CAS_118134-30-8", "concept:PUYXTUJWRLOUCW-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_118134-30-8", "concept:PUYXTUJWRLOUCW-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_118134-30-8", "concept:PUYXTUJWRLOUCW-UHFFFAOYSA-N" ], "notation": "spirxmne", "prefLabel": "spiroxamine", "semanticRelation": [ "wise:CAS_118134-30-8", "concept:PUYXTUJWRLOUCW-UHFFFAOYSA-N" ] }, { "id": "concept:PWHULOQIROXLJO-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "17375-02-9", "195161-78-5", "19768-33-3", "22325-60-6", "39303-06-5", "7439-96-5", "8031-40-1", "8075-39-6" ], "dbo:formula": "Mn", "dbo:inchi": "InChI=1S/Mn", "iupacName": "Manganese", "pubchem": "23930", "dbo:smiles": "[Mn]", "dbp:inchikey": "PWHULOQIROXLJO-UHFFFAOYSA-N", "comment": [ "VLAR II D5 'mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)'", "VLAR II bijl. 4.4.2 'mangaan en zijn verbindingen, uitgedrukt in Mn'", "VLAR III (D3) 'Mangaan en mangaanverbindingen, uitgedrukt in mangaan (Mn)'", "VLAR III (D3, diverse art) 'Mn'" ], "seeAlso": "compound:23930", "altLabel": "Mangaan (Mn)", "closeMatch": [ "wise:CAS_7439-96-5", "concept:PWHULOQIROXLJO-UHFFFAOYSA-N" ], "definition": "mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)", "exactMatch": [ "wise:CAS_7439-96-5", "concept:PWHULOQIROXLJO-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7439-96-5", "concept:PWHULOQIROXLJO-UHFFFAOYSA-N" ], "notation": "Mn", "note": "mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)", "prefLabel": "mangaan", "semanticRelation": [ "wise:CAS_7439-96-5", "concept:PWHULOQIROXLJO-UHFFFAOYSA-N" ] }, { "id": "concept:PXBRQCKWGAHEHS-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "185009-39-6", "62185-71-1", "75-71-8" ], "dbo:formula": "CCl2F2", "dbo:inchi": "InChI=1S/CCl2F2/c2-1(3,4)5", "iupacName": "dichloro-difluoromethane", "pubchem": "6391", "dbo:smiles": "C(F)(F)(Cl)Cl", "dbp:inchikey": "PXBRQCKWGAHEHS-UHFFFAOYSA-N", "comment": "VLAREM II bijlage 4.4.2", "seeAlso": "compound:6391", "altLabel": [ "dichloordifluormethaan (cfk12)", "dichloordifluormethaan" ], "closeMatch": [ "wise:CAS_75-71-8", "concept:PXBRQCKWGAHEHS-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_75-71-8", "concept:PXBRQCKWGAHEHS-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_75-71-8", "concept:PXBRQCKWGAHEHS-UHFFFAOYSA-N" ], "notation": "CFK12", "prefLabel": "dichloordifluormethaan", "semanticRelation": [ "wise:CAS_75-71-8", "concept:PXBRQCKWGAHEHS-UHFFFAOYSA-N" ] }, { "id": "concept:PXGOKWXKJXAPGV-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "28077-97-6", "7782-41-4" ], "dbo:formula": "F2", "dbo:inchi": "InChI=1S/F2/c1-2", "iupacName": "molecular fluorine", "pubchem": "24524", "dbo:smiles": "FF", "dbp:inchikey": "PXGOKWXKJXAPGV-UHFFFAOYSA-N", "seeAlso": "compound:24524", "closeMatch": [ "wise:CAS_7782-41-4", "concept:PXGOKWXKJXAPGV-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_7782-41-4", "concept:PXGOKWXKJXAPGV-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7782-41-4", "concept:PXGOKWXKJXAPGV-UHFFFAOYSA-N" ], "notation": "F2", "prefLabel": "difluor", "semanticRelation": [ "wise:CAS_7782-41-4", "concept:PXGOKWXKJXAPGV-UHFFFAOYSA-N" ] }, { "id": "concept:PXHVJJICTQNCMI-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "112084-17-0", "14903-34-5", "17375-04-1", "195161-84-3", "21595-53-9", "39303-46-3", "53527-81-4", "68412-20-4", "7440-02-0", "8049-31-8" ], "dbo:formula": "Ni", "dbo:inchi": "InChI=1S/Ni", "iupacName": "Nickel", "pubchem": "935", "dbo:smiles": "[Ni]", "dbp:inchikey": "PXHVJJICTQNCMI-UHFFFAOYSA-N", "comment": [ "VLAR II (D2/D5) 'nikkel'", "VLAR II (D5) 'nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)'", "VLAR II bijl. 4.4.2 'nikkel en zijn verbindingen, uitgedrukt in Ni'", "VLAR II bijl. 4.4.2 nikkel (nikkelmetaal, nikkelsulfide en sulfidische ertsen, nikkeloxide en nikkelcarbonaat, nikkeltetracarbonyl), uitgedrukt in Ni'", "VLAR III (D3) 'Nikkel en de verbindingen daarvan, uitgedrukt als nikkel (Ni)'", "VLAR III (D3) 'Nikkel'", "VLAR III (D3, diverse art) 'Ni'", "VLAR bijl. 2.5.8.1 'Nikkel'" ], "seeAlso": "compound:935", "altLabel": "Nikkel (Ni)", "closeMatch": [ "wise:CAS_7440-02-0", "concept:PXHVJJICTQNCMI-UHFFFAOYSA-N" ], "definition": "nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)", "exactMatch": [ "wise:CAS_7440-02-0", "concept:PXHVJJICTQNCMI-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7440-02-0", "concept:PXHVJJICTQNCMI-UHFFFAOYSA-N" ], "notation": "Ni", "note": "nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)", "prefLabel": "nikkel", "semanticRelation": [ "wise:CAS_7440-02-0", "concept:PXHVJJICTQNCMI-UHFFFAOYSA-N" ] }, { "id": "concept:PXMNMQRDXWABCY-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "107534-96-3", "80443-41-0" ], "dbo:formula": "C16H22ClN3O", "dbo:inchi": "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3", "iupacName": "1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol", "pubchem": "86102", "dbo:smiles": "CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O", "dbp:inchikey": "PXMNMQRDXWABCY-UHFFFAOYSA-N", "seeAlso": "compound:86102", "altLabel": "tebuconazole", "closeMatch": [ "wise:CAS_107534-96-3", "concept:PXMNMQRDXWABCY-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_107534-96-3", "concept:PXMNMQRDXWABCY-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_107534-96-3", "concept:PXMNMQRDXWABCY-UHFFFAOYSA-N" ], "notation": "tebcnzl", "prefLabel": "tebuconazol", "semanticRelation": [ "wise:CAS_107534-96-3", "concept:PXMNMQRDXWABCY-UHFFFAOYSA-N" ] }, { "id": "concept:PYUSJFJVDVSXIU-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "72918-21-9", "dbo:formula": "C12H2Cl6O", "dbo:inchi": "InChI=1S/C12H2Cl6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H", "iupacName": "1,2,3,7,8,9-HEXACHLORODIBENZOFURAN", "pubchem": "51720", "dbo:smiles": "C1=C2C(=C(C(=C1Cl)Cl)Cl)C3=C(C(=C(C=C3O2)Cl)Cl)Cl", "dbp:inchikey": "PYUSJFJVDVSXIU-UHFFFAOYSA-N", "comment": [ "VLAR II+ bijlagen", "VLAR III (D3, diverse art) 'dioxinen en furanen'" ], "seeAlso": "compound:51720", "altLabel": [ " 1,2,3,7,8,9-hexachloordibenzofuraan", "1,2,3,7,8,9-hexachloordibenzofuraan (hxcdf)", "1,2,3,7,8,9-hexachloordibenzofuraan" ], "closeMatch": [ "wise:CAS_72918-21-9", "concept:PYUSJFJVDVSXIU-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_72918-21-9", "concept:PYUSJFJVDVSXIU-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_72918-21-9", "concept:PYUSJFJVDVSXIU-UHFFFAOYSA-N" ], "notation": "PCDF124", "prefLabel": "1,2,3,7,8,9-hexachloordibenzofuran", "semanticRelation": [ "wise:CAS_72918-21-9", "concept:PYUSJFJVDVSXIU-UHFFFAOYSA-N" ] }, { "id": "concept:PZXOQEXFMJCDPG-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "1113-02-6", "dbo:formula": "C5H12NO4PS", "dbo:inchi": "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)", "iupacName": "2-dimethoxyphosphorylsulfanyl-N-methylacetamide", "pubchem": "14210", "dbo:smiles": "CNC(=O)CSP(=O)(OC)OC", "dbp:inchikey": "PZXOQEXFMJCDPG-UHFFFAOYSA-N", "seeAlso": "compound:14210", "closeMatch": [ "wise:CAS_1113-02-6", "concept:PZXOQEXFMJCDPG-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_1113-02-6", "concept:PZXOQEXFMJCDPG-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_1113-02-6", "concept:PZXOQEXFMJCDPG-UHFFFAOYSA-N" ], "notation": "omtat", "prefLabel": "omethoaat", "semanticRelation": [ "wise:CAS_1113-02-6", "concept:PZXOQEXFMJCDPG-UHFFFAOYSA-N" ] }, { "id": "concept:QARVLSVVCXYDNA-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "108-86-1", "dbo:formula": "C6H5Br", "dbo:inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H", "iupacName": "Bromobenzene", "pubchem": "7961", "dbo:smiles": "C1=CC=C(C=C1)Br", "dbp:inchikey": "QARVLSVVCXYDNA-UHFFFAOYSA-N", "seeAlso": "compound:7961", "closeMatch": [ "wise:CAS_108-86-1", "concept:QARVLSVVCXYDNA-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_108-86-1", "concept:QARVLSVVCXYDNA-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_108-86-1", "concept:QARVLSVVCXYDNA-UHFFFAOYSA-N" ], "notation": "BrBen", "prefLabel": "broombenzeen", "semanticRelation": [ "wise:CAS_108-86-1", "concept:QARVLSVVCXYDNA-UHFFFAOYSA-N" ] }, { "id": "concept:QBYJBZPUGVGKQQ-SEIHLVFNSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "465-73-6", "dbo:formula": "C12H8Cl6", "dbo:inchi": "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10-,11+", "iupacName": "(1S,2R,3R,6S,7S,8R)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene", "pubchem": "222548", "dbo:smiles": "C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "QBYJBZPUGVGKQQ-SEIHLVFNSA-N", "seeAlso": "compound:222548", "closeMatch": [ "wise:CAS_465-73-6", "concept:QBYJBZPUGVGKQQ-SEIHLVFNSA-N" ], "exactMatch": [ "wise:CAS_465-73-6", "concept:QBYJBZPUGVGKQQ-SEIHLVFNSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_465-73-6", "concept:QBYJBZPUGVGKQQ-SEIHLVFNSA-N" ], "notation": "idn", "prefLabel": "isodrin", "semanticRelation": [ "wise:CAS_465-73-6", "concept:QBYJBZPUGVGKQQ-SEIHLVFNSA-N" ] }, { "id": "concept:QBYJBZPUGVGKQQ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "309-00-2", "dbo:formula": "C12H8Cl6", "dbo:inchi": "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2", "iupacName": "1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene", "pubchem": "2087", "dbo:smiles": "C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "QBYJBZPUGVGKQQ-UHFFFAOYSA-N", "seeAlso": "compound:2087", "closeMatch": [ "wise:CAS_309-00-2", "concept:QBYJBZPUGVGKQQ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_309-00-2", "concept:QBYJBZPUGVGKQQ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_309-00-2", "concept:QBYJBZPUGVGKQQ-UHFFFAOYSA-N" ], "notation": "aldn", "prefLabel": "aldrin", "semanticRelation": [ "wise:CAS_309-00-2", "concept:QBYJBZPUGVGKQQ-UHFFFAOYSA-N" ] }, { "id": "concept:QGZKDVFQNNGYKY-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "13774-92-0", "15194-15-7", "17778-88-0", "208990-07-2", "214478-05-4", "7664-41-7", "8007-57-6" ], "dbo:formula": "H3N", "dbo:inchi": "InChI=1S/H3N/h1H3", "iupacName": "['$l^{1}-azane', 'azane']", "pubchem": "222", "dbo:smiles": "N", "dbp:inchikey": "QGZKDVFQNNGYKY-UHFFFAOYSA-N", "comment": [ "VLAR II (D2/D5) 'ammoniak' en 'ammoniak (NH3)' en 'NH3'", "VLAR III (D3, diverse art) 'NH3'", "VLAR III (D3, diverse art) 'ammoniak'" ], "seeAlso": "compound:222", "altLabel": "ammoniak (NH3)", "closeMatch": [ "wise:CAS_7664-41-7", "concept:QGZKDVFQNNGYKY-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_7664-41-7", "concept:QGZKDVFQNNGYKY-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7664-41-7", "concept:QGZKDVFQNNGYKY-UHFFFAOYSA-N" ], "notation": "NH3", "prefLabel": "ammoniak", "semanticRelation": [ "wise:CAS_7664-41-7", "concept:QGZKDVFQNNGYKY-UHFFFAOYSA-N" ] }, { "id": "concept:QGZKDVFQNNGYKY-UHFFFAOYSA-O", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "14158-23-7", "14798-03-9", "6684-80-6" ], "dbo:formula": "H4N+", "dbo:inchi": "InChI=1S/H3N/h1H3/p+1", "iupacName": "['azanium', 'nitrogen(+1) dihydride cation']", "pubchem": "223", "dbo:smiles": "[NH4+]", "dbp:inchikey": "QGZKDVFQNNGYKY-UHFFFAOYSA-O", "seeAlso": "compound:223", "closeMatch": [ "wise:CAS_14798-03-9", "concept:QGZKDVFQNNGYKY-UHFFFAOYSA-O" ], "exactMatch": [ "wise:CAS_14798-03-9", "concept:QGZKDVFQNNGYKY-UHFFFAOYSA-O" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_14798-03-9", "concept:QGZKDVFQNNGYKY-UHFFFAOYSA-O" ], "notation": "NH4", "prefLabel": "ammonium", "semanticRelation": [ "wise:CAS_14798-03-9", "concept:QGZKDVFQNNGYKY-UHFFFAOYSA-O" ] }, { "id": "concept:QHOQHJPRIBSPCY-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "29232-93-7", "dbo:formula": "C11H20N3O3PS", "dbo:inchi": "InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3", "iupacName": "4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine", "pubchem": "34526", "dbo:smiles": "CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C", "dbp:inchikey": "QHOQHJPRIBSPCY-UHFFFAOYSA-N", "seeAlso": "compound:34526", "altLabel": [ "pirimifos-methyl", "pirimiphos-methyl" ], "closeMatch": [ "wise:CAS_29232-93-7", "concept:QHOQHJPRIBSPCY-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_29232-93-7", "concept:QHOQHJPRIBSPCY-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_29232-93-7", "concept:QHOQHJPRIBSPCY-UHFFFAOYSA-N" ], "notation": "C1yprmfs", "prefLabel": "methylpirimifos", "semanticRelation": [ "wise:CAS_29232-93-7", "concept:QHOQHJPRIBSPCY-UHFFFAOYSA-N" ] }, { "id": "concept:QMHAHUAQAJVBIW-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "3984-14-3", "dbo:formula": "C2H8N2O2S", "dbo:inchi": "InChI=1S/C2H8N2O2S/c1-4(2)7(3,5)6/h1-2H3,(H2,3,5,6)", "iupacName": "(methyl-sulfamoylamino)methane", "pubchem": "134472", "dbo:smiles": "CN(C)S(=O)(=O)N", "dbp:inchikey": "QMHAHUAQAJVBIW-UHFFFAOYSA-N", "seeAlso": "compound:134472", "closeMatch": [ "wise:CAS_3984-14-3", "concept:QMHAHUAQAJVBIW-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_3984-14-3", "concept:QMHAHUAQAJVBIW-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_3984-14-3", "concept:QMHAHUAQAJVBIW-UHFFFAOYSA-N" ], "notation": "DC1ysAd", "prefLabel": "dimethylsulfamide", "semanticRelation": [ "wise:CAS_3984-14-3", "concept:QMHAHUAQAJVBIW-UHFFFAOYSA-N" ] }, { "id": "concept:QNBTYORWCCMPQP-JXAWBTAJSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "110488-70-5", "dbo:formula": "C21H22ClNO4", "dbo:inchi": "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14-", "iupacName": "(Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one", "pubchem": "5463781", "dbo:smiles": "COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC", "dbp:inchikey": "QNBTYORWCCMPQP-JXAWBTAJSA-N", "seeAlso": "compound:5463781", "closeMatch": [ "wise:CAS_110488-70-5", "concept:QNBTYORWCCMPQP-JXAWBTAJSA-N" ], "exactMatch": [ "wise:CAS_110488-70-5", "concept:QNBTYORWCCMPQP-JXAWBTAJSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_110488-70-5", "concept:QNBTYORWCCMPQP-JXAWBTAJSA-N" ], "notation": "Dmtmf", "prefLabel": "dimethomorf", "semanticRelation": [ "wise:CAS_110488-70-5", "concept:QNBTYORWCCMPQP-JXAWBTAJSA-N" ] }, { "id": "concept:QPFMBZIOSGYJDE-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "79-34-5", "dbo:formula": "C2H2Cl4", "dbo:inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H", "iupacName": "1,1,2,2-Tetrachloroethane", "pubchem": "6591", "dbo:smiles": "C(C(Cl)Cl)(Cl)Cl", "dbp:inchikey": "QPFMBZIOSGYJDE-UHFFFAOYSA-N", "seeAlso": "compound:6591", "closeMatch": [ "wise:CAS_79-34-5", "concept:QPFMBZIOSGYJDE-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_79-34-5", "concept:QPFMBZIOSGYJDE-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_79-34-5", "concept:QPFMBZIOSGYJDE-UHFFFAOYSA-N" ], "notation": "1122T4ClC2a", "prefLabel": "1,1,2,2-tetrachloorethaan", "semanticRelation": [ "wise:CAS_79-34-5", "concept:QPFMBZIOSGYJDE-UHFFFAOYSA-N" ] }, { "id": "concept:QRUDEWIWKLJBPS-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "116421-31-9", "25377-81-5", "273-02-9", "27556-51-0", "28880-01-5", "70644-74-5", "94160-69-7", "95-14-7" ], "dbo:formula": "C6H5N3", "dbo:inchi": "InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)", "iupacName": "2H-Benzotriazole", "pubchem": "7220", "dbo:smiles": "C1=CC2=NNN=C2C=C1", "dbp:inchikey": "QRUDEWIWKLJBPS-UHFFFAOYSA-N", "seeAlso": "compound:7220", "altLabel": "benzotriazool", "closeMatch": [ "wise:CAS_95-14-7", "concept:QRUDEWIWKLJBPS-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_95-14-7", "concept:QRUDEWIWKLJBPS-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_95-14-7", "concept:QRUDEWIWKLJBPS-UHFFFAOYSA-N" ], "notation": "123benztazl", "prefLabel": "1,2,3-benzotriazool", "semanticRelation": [ "wise:CAS_95-14-7", "concept:QRUDEWIWKLJBPS-UHFFFAOYSA-N" ] }, { "id": "concept:QSHDDOUJBYECFT-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "123720-03-6", "149038-91-5", "51887-47-9", "7439-97-6", "8030-64-6", "92355-34-5", "92786-62-4" ], "dbo:formula": "Hg", "dbo:inchi": "InChI=1S/Hg", "iupacName": "Mercury", "pubchem": "23931", "dbo:smiles": "[Hg]", "dbp:inchikey": "QSHDDOUJBYECFT-UHFFFAOYSA-N", "comment": [ "VLAR II (D2) 'kwik'", "VLAR II (D5) 'kwik en zijn verbindingen' en 'kwik en kwikverbindingen, uitgedrukt als kwik(Hg)' en 'kwik en zijn verbindingen (uitgedrukt in Hg)'", "VLAR II bijl. 2.5.8.4 'totaal gasvormig kwik'", "VLAR II bijl. 4.4.2 'Kwik en zijn verbindingen, uitgedrukt in Hg'", "VLAR III (D3 art. 3.12.3.1.6) 'kwik'", "VLAR III (D3) 'kwik en kwikverbindingen, uitgedrukt als kwik (Hg)'", "VLAR III (D3) 'kwik en zijn verbindingen, uitgedrukt als kwik (Hg)'", "VLAR III (D3, diverse art) 'Hg'" ], "seeAlso": "compound:23931", "altLabel": "kwik (Hg)", "closeMatch": [ "wise:CAS_7439-97-6", "concept:QSHDDOUJBYECFT-UHFFFAOYSA-N" ], "definition": "kwik en kwikverbindingen, uitgedrukt als kwik (Hg)", "exactMatch": [ "wise:CAS_7439-97-6", "concept:QSHDDOUJBYECFT-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7439-97-6", "concept:QSHDDOUJBYECFT-UHFFFAOYSA-N" ], "notation": "Hg", "note": "kwik en kwikverbindingen, uitgedrukt als kwik (Hg)", "prefLabel": "kwik", "semanticRelation": [ "wise:CAS_7439-97-6", "concept:QSHDDOUJBYECFT-UHFFFAOYSA-N" ] }, { "id": "concept:QSNSCYSYFYORTR-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "106-47-8", "dbo:formula": "C6H6ClN", "dbo:inchi": "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2", "iupacName": "4-Chloroaniline", "pubchem": "7812", "dbo:smiles": "C1=CC(=CC=C1N)Cl", "dbp:inchikey": "QSNSCYSYFYORTR-UHFFFAOYSA-N", "seeAlso": "compound:7812", "altLabel": "4-chlooraniline", "closeMatch": [ "wise:CAS_106-47-8", "concept:QSNSCYSYFYORTR-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_106-47-8", "concept:QSNSCYSYFYORTR-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_106-47-8", "concept:QSNSCYSYFYORTR-UHFFFAOYSA-N" ], "notation": "4ClAn", "prefLabel": "p-chlooraniline", "semanticRelation": [ "wise:CAS_106-47-8", "concept:QSNSCYSYFYORTR-UHFFFAOYSA-N" ] }, { "id": "concept:QUIMTLZDMCNYGY-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "611-06-3", "dbo:formula": "C6H3Cl2NO2", "dbo:inchi": "InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H", "iupacName": "2,4-Dichloro-1-nitrobenzene", "pubchem": "11899", "dbo:smiles": "C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-]", "dbp:inchikey": "QUIMTLZDMCNYGY-UHFFFAOYSA-N", "seeAlso": "compound:11899", "closeMatch": [ "wise:CAS_611-06-3", "concept:QUIMTLZDMCNYGY-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_611-06-3", "concept:QUIMTLZDMCNYGY-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_611-06-3", "concept:QUIMTLZDMCNYGY-UHFFFAOYSA-N" ], "notation": "24DClNO2Ben", "prefLabel": "2,4-dichloornitrobenzeen", "semanticRelation": [ "wise:CAS_611-06-3", "concept:QUIMTLZDMCNYGY-UHFFFAOYSA-N" ] }, { "id": "concept:QVLAWKAXOMEXPM-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "630-20-6", "dbo:formula": "C2H2Cl4", "dbo:inchi": "InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2", "iupacName": "1,1,1,2-TETRACHLOROETHANE", "pubchem": "12418", "dbo:smiles": "C(C(Cl)(Cl)Cl)Cl", "dbp:inchikey": "QVLAWKAXOMEXPM-UHFFFAOYSA-N", "seeAlso": "compound:12418", "closeMatch": [ "wise:CAS_630-20-6", "concept:QVLAWKAXOMEXPM-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_630-20-6", "concept:QVLAWKAXOMEXPM-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_630-20-6", "concept:QVLAWKAXOMEXPM-UHFFFAOYSA-N" ], "notation": "1112T4ClC2a", "prefLabel": "1,1,1,2-tetrachloorethaan", "semanticRelation": [ "wise:CAS_630-20-6", "concept:QVLAWKAXOMEXPM-UHFFFAOYSA-N" ] }, { "id": "concept:QWBBPBRQALCEIZ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "526-75-0", "dbo:formula": "C8H10O", "dbo:inchi": "InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3", "iupacName": "2,3-Dimethylphenol", "pubchem": "10687", "dbo:smiles": "CC1=C(C(=CC=C1)O)C", "dbp:inchikey": "QWBBPBRQALCEIZ-UHFFFAOYSA-N", "seeAlso": "compound:10687", "closeMatch": [ "wise:CAS_526-75-0", "concept:QWBBPBRQALCEIZ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_526-75-0", "concept:QWBBPBRQALCEIZ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_526-75-0", "concept:QWBBPBRQALCEIZ-UHFFFAOYSA-N" ], "notation": "23DC1yFol", "prefLabel": "2,3-dimethylfenol", "semanticRelation": [ "wise:CAS_526-75-0", "concept:QWBBPBRQALCEIZ-UHFFFAOYSA-N" ] }, { "id": "concept:QWVGKYWNOKOFNN-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "95-48-7", "dbo:formula": "C7H8O", "dbo:inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3", "iupacName": "2-Methylphenol", "pubchem": "335", "dbo:smiles": "CC1=CC=CC=C1O", "dbp:inchikey": "QWVGKYWNOKOFNN-UHFFFAOYSA-N", "seeAlso": "compound:335", "altLabel": [ "2-methylfenol (o-cresol)", "2-methylfenol" ], "closeMatch": [ "wise:CAS_95-48-7", "concept:QWVGKYWNOKOFNN-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_95-48-7", "concept:QWVGKYWNOKOFNN-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_95-48-7", "concept:QWVGKYWNOKOFNN-UHFFFAOYSA-N" ], "notation": "ocresl", "prefLabel": "o-cresol", "semanticRelation": [ "wise:CAS_95-48-7", "concept:QWVGKYWNOKOFNN-UHFFFAOYSA-N" ] }, { "id": "concept:RDYMFSUJUZBWLH-GDSHQCHSSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "12640-58-3", "19595-59-6", "29106-31-8", "33213-66-0", "959-98-8" ], "dbo:formula": "C9H6Cl6O3S", "dbo:inchi": "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8?,19?/m1/s1", "iupacName": "(2R,8S,9R)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide", "pubchem": "6433227", "dbo:smiles": "C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "RDYMFSUJUZBWLH-GDSHQCHSSA-N", "seeAlso": "compound:6433227", "closeMatch": [ "wise:CAS_959-98-8", "concept:RDYMFSUJUZBWLH-GDSHQCHSSA-N" ], "exactMatch": [ "wise:CAS_959-98-8", "concept:RDYMFSUJUZBWLH-GDSHQCHSSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_959-98-8", "concept:RDYMFSUJUZBWLH-GDSHQCHSSA-N" ], "notation": "aedsfn", "prefLabel": "alfa-endosulfan", "semanticRelation": [ "wise:CAS_959-98-8", "concept:RDYMFSUJUZBWLH-GDSHQCHSSA-N" ] }, { "id": "concept:RDYMFSUJUZBWLH-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "115-29-7", "6994-04-3", "8003-45-0" ], "dbo:formula": "C9H6Cl6O3S", "dbo:inchi": "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2", "iupacName": "1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide", "pubchem": "3224", "dbo:smiles": "C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "RDYMFSUJUZBWLH-UHFFFAOYSA-N", "seeAlso": "compound:3224", "altLabel": [ "?-endosulfan", "endosulfan (som alfa- en beta-isomeer)" ], "closeMatch": [ "wise:CAS_115-29-7", "concept:RDYMFSUJUZBWLH-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_115-29-7", "concept:RDYMFSUJUZBWLH-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_115-29-7", "concept:RDYMFSUJUZBWLH-UHFFFAOYSA-N" ], "notation": "endsfn", "prefLabel": "alfa+beta endosulfan", "semanticRelation": [ "wise:CAS_115-29-7", "concept:RDYMFSUJUZBWLH-UHFFFAOYSA-N" ] }, { "id": "concept:RDYMFSUJUZBWLH-VQDHCCOSSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "12640-59-4", "19670-15-6", "33213-65-9", "891-86-1" ], "dbo:formula": "C9H6Cl6O3S", "dbo:inchi": "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8?,19?/m0/s1", "iupacName": "(1S,2R,8S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide", "pubchem": "6434141", "dbo:smiles": "C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "RDYMFSUJUZBWLH-VQDHCCOSSA-N", "seeAlso": "compound:6434141", "closeMatch": [ "wise:CAS_33213-65-9", "concept:RDYMFSUJUZBWLH-VQDHCCOSSA-N" ], "exactMatch": [ "wise:CAS_33213-65-9", "concept:RDYMFSUJUZBWLH-VQDHCCOSSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_33213-65-9", "concept:RDYMFSUJUZBWLH-VQDHCCOSSA-N" ], "notation": "bedsfn", "prefLabel": "beta-endosulfan", "semanticRelation": [ "wise:CAS_33213-65-9", "concept:RDYMFSUJUZBWLH-VQDHCCOSSA-N" ] }, { "id": "concept:REEQLXCGVXDJSQ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "55335-06-3", "69653-72-1" ], "dbo:formula": "C7H4Cl3NO3", "dbo:inchi": "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)", "iupacName": "2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid", "pubchem": "41428", "dbo:smiles": "C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl", "dbp:inchikey": "REEQLXCGVXDJSQ-UHFFFAOYSA-N", "seeAlso": "compound:41428", "closeMatch": [ "wise:CAS_55335-06-3", "concept:REEQLXCGVXDJSQ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_55335-06-3", "concept:REEQLXCGVXDJSQ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_55335-06-3", "concept:REEQLXCGVXDJSQ-UHFFFAOYSA-N" ], "notation": "Tcpr", "prefLabel": "triclopyr", "semanticRelation": [ "wise:CAS_55335-06-3", "concept:REEQLXCGVXDJSQ-UHFFFAOYSA-N" ] }, { "id": "concept:REHONNLQRWTIFF-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "57465-28-8", "dbo:formula": "C12H5Cl5", "dbo:inchi": "InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H", "iupacName": "1,2,3-trichloro-5-(3,4-dichlorophenyl)benzene", "pubchem": "63090", "dbo:smiles": "C1=CC(=C(C=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "REHONNLQRWTIFF-UHFFFAOYSA-N", "comment": "VLAR III (D3) 'dioxineachtige PCB's'", "seeAlso": "compound:63090", "altLabel": [ "3,3',4,4',5-pentachloorbifenyl (pcb126)", "3,3',4,4',5-pentachloorbifenyl", "pcb 126" ], "closeMatch": [ "wise:CAS_57465-28-8", "concept:REHONNLQRWTIFF-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_57465-28-8", "concept:REHONNLQRWTIFF-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_57465-28-8", "concept:REHONNLQRWTIFF-UHFFFAOYSA-N" ], "notation": "PCB126", "prefLabel": "PCB 126", "semanticRelation": [ "wise:CAS_57465-28-8", "concept:REHONNLQRWTIFF-UHFFFAOYSA-N" ] }, { "id": "concept:RELMFMZEBKVZJC-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "12002-48-1", "87-61-6" ], "dbo:formula": "C6H3Cl3", "dbo:inchi": "InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H", "iupacName": "1,2,3-Trichlorobenzene", "pubchem": "6895", "dbo:smiles": "C1=CC(=C(C(=C1)Cl)Cl)Cl", "dbp:inchikey": "RELMFMZEBKVZJC-UHFFFAOYSA-N", "seeAlso": "compound:6895", "altLabel": [ "1,2,3-trichloorbenzeen", "trichloorbenzeen" ], "closeMatch": [ "wise:CAS_12002-48-1", "wise:CAS_87-61-6", "concept:RELMFMZEBKVZJC-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_12002-48-1", "wise:CAS_87-61-6", "concept:RELMFMZEBKVZJC-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_12002-48-1", "wise:CAS_87-61-6", "concept:RELMFMZEBKVZJC-UHFFFAOYSA-N" ], "notation": [ "123TClBen", "TClBen" ], "prefLabel": "trichloorbenzenen", "semanticRelation": [ "wise:CAS_12002-48-1", "wise:CAS_87-61-6", "concept:RELMFMZEBKVZJC-UHFFFAOYSA-N" ] }, { "id": "concept:RFFLAFLAYFXFSW-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "24634-92-2", "25321-22-6", "95-50-1" ], "dbo:formula": "C6H4Cl2", "dbo:inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H", "iupacName": "1,2-Dichlorobenzene", "pubchem": "7239", "dbo:smiles": "C1=CC=C(C(=C1)Cl)Cl", "dbp:inchikey": "RFFLAFLAYFXFSW-UHFFFAOYSA-N", "comment": "VLAREM II bijlage 4.4.2", "seeAlso": "compound:7239", "altLabel": "1,2-dichloorbenzeen", "closeMatch": [ "wise:CAS_95-50-1", "concept:RFFLAFLAYFXFSW-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_95-50-1", "concept:RFFLAFLAYFXFSW-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_95-50-1", "concept:RFFLAFLAYFXFSW-UHFFFAOYSA-N" ], "notation": "12DClBen", "prefLabel": "1,2-dichloorbenzeen", "semanticRelation": [ "wise:CAS_95-50-1", "concept:RFFLAFLAYFXFSW-UHFFFAOYSA-N" ] }, { "id": "concept:RHIROFAGUQOFLU-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "39001-02-0", "dbo:formula": "C12Cl8O", "dbo:inchi": "InChI=1S/C12Cl8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15", "iupacName": "1,2,3,4,6,7,8,9-Octachlorodibenzofuran", "pubchem": "38200", "dbo:smiles": "C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl", "dbp:inchikey": "RHIROFAGUQOFLU-UHFFFAOYSA-N", "comment": [ "VLAR II+ bijlagen", "VLAR III (D3, diverse art) 'dioxinen en furanen'" ], "seeAlso": "compound:38200", "altLabel": [ "octachloordibenzofuraan (ocdf)", "octachloordibenzofuraan", "octachloordibenzofuran" ], "closeMatch": [ "wise:CAS_39001-02-0", "concept:RHIROFAGUQOFLU-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_39001-02-0", "concept:RHIROFAGUQOFLU-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_39001-02-0", "concept:RHIROFAGUQOFLU-UHFFFAOYSA-N" ], "notation": "PCDF135", "prefLabel": "1,2,3,4,6,7,8,9-octachloordibenzofuraan", "semanticRelation": [ "wise:CAS_39001-02-0", "concept:RHIROFAGUQOFLU-UHFFFAOYSA-N" ] }, { "id": "concept:RHPUJHQBPORFGV-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "1570-64-5", "dbo:formula": "C7H7ClO", "dbo:inchi": "InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3", "iupacName": "4-Chloro-2-methylphenol", "pubchem": "14855", "dbo:smiles": "CC1=C(C=CC(=C1)Cl)O", "dbp:inchikey": "RHPUJHQBPORFGV-UHFFFAOYSA-N", "seeAlso": "compound:14855", "closeMatch": [ "wise:CAS_1570-64-5", "concept:RHPUJHQBPORFGV-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_1570-64-5", "concept:RHPUJHQBPORFGV-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_1570-64-5", "concept:RHPUJHQBPORFGV-UHFFFAOYSA-N" ], "notation": "4Cl2C1yFol", "prefLabel": "4-chloor-2-methylfenol", "semanticRelation": [ "wise:CAS_1570-64-5", "concept:RHPUJHQBPORFGV-UHFFFAOYSA-N" ] }, { "id": "concept:RIZMRRKBZQXFOY-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "563-12-2", "dbo:formula": "C9H22O4P2S4", "dbo:inchi": "InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3", "iupacName": "diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane", "pubchem": "3286", "dbo:smiles": "CCOP(=S)(OCC)SCSP(=S)(OCC)OCC", "dbp:inchikey": "RIZMRRKBZQXFOY-UHFFFAOYSA-N", "seeAlso": "compound:3286", "closeMatch": [ "wise:CAS_563-12-2", "concept:RIZMRRKBZQXFOY-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_563-12-2", "concept:RIZMRRKBZQXFOY-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_563-12-2", "concept:RIZMRRKBZQXFOY-UHFFFAOYSA-N" ], "notation": "eton", "prefLabel": "ethion", "semanticRelation": [ "wise:CAS_563-12-2", "concept:RIZMRRKBZQXFOY-UHFFFAOYSA-N" ] }, { "id": "concept:RLBIQVVOMOPOHC-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "298-00-0", "37359-35-6", "63653-66-7" ], "dbo:formula": "C8H10NO5PS", "dbo:inchi": "InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3", "iupacName": "dimethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane", "pubchem": "4130", "dbo:smiles": "COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]", "dbp:inchikey": "RLBIQVVOMOPOHC-UHFFFAOYSA-N", "seeAlso": "compound:4130", "altLabel": "methylparathion", "closeMatch": [ "wise:CAS_298-00-0", "concept:RLBIQVVOMOPOHC-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_298-00-0", "concept:RLBIQVVOMOPOHC-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_298-00-0", "concept:RLBIQVVOMOPOHC-UHFFFAOYSA-N" ], "notation": "C1yprton", "prefLabel": "parathion-methyl", "semanticRelation": [ "wise:CAS_298-00-0", "concept:RLBIQVVOMOPOHC-UHFFFAOYSA-N" ] }, { "id": "concept:RLLPVAHGXHCWKJ-HKUYNNGSSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "52645-53-1", "54774-45-7", "57608-04-5", "60018-94-2", "61949-76-6", "63364-00-1", "75497-64-2", "93388-66-0" ], "dbo:formula": "C21H20Cl2O3", "dbo:inchi": "InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1", "iupacName": "[3-(phenoxy)phenyl]methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate", "pubchem": "40463", "dbo:smiles": "CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C", "dbp:inchikey": "RLLPVAHGXHCWKJ-HKUYNNGSSA-N", "seeAlso": "compound:40463", "altLabel": [ "cis-permethrin", "permethrin" ], "closeMatch": [ "wise:CAS_52645-53-1", "concept:RLLPVAHGXHCWKJ-HKUYNNGSSA-N" ], "exactMatch": [ "wise:CAS_52645-53-1", "concept:RLLPVAHGXHCWKJ-HKUYNNGSSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_52645-53-1", "concept:RLLPVAHGXHCWKJ-HKUYNNGSSA-N" ], "notation": [ "cpermtn", "permtn" ], "prefLabel": "cis-permetryn", "semanticRelation": [ "wise:CAS_52645-53-1", "concept:RLLPVAHGXHCWKJ-HKUYNNGSSA-N" ] }, { "id": "concept:RMPWIIKNWPVWNG-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "35065-30-6", "dbo:formula": "C12H3Cl7", "dbo:inchi": "InChI=1S/C12H3Cl7/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)11(18)12(19)9(5)16/h1-3H", "iupacName": "1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenyl)benzene", "pubchem": "37037", "dbo:smiles": "C1=CC(=C(C(=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "RMPWIIKNWPVWNG-UHFFFAOYSA-N", "seeAlso": "compound:37037", "altLabel": "2,2',3,3',4,4',5-heptachloorbifenyl", "closeMatch": [ "wise:CAS_35065-30-6", "concept:RMPWIIKNWPVWNG-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_35065-30-6", "concept:RMPWIIKNWPVWNG-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_35065-30-6", "concept:RMPWIIKNWPVWNG-UHFFFAOYSA-N" ], "notation": "PCB170", "prefLabel": "2,2',3,3',4,4',5-heptachloorbifenyl (pcb170)", "semanticRelation": [ "wise:CAS_35065-30-6", "concept:RMPWIIKNWPVWNG-UHFFFAOYSA-N" ] }, { "id": "concept:RNFNDJAIBTYOQL-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "109128-19-0", "302-17-0" ], "dbo:formula": "C2H3Cl3O2", "dbo:inchi": "InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H", "iupacName": "2,2,2-Trichloroethane-1,1-diol", "pubchem": "2707", "dbo:smiles": "C(C(Cl)(Cl)Cl)(O)O", "dbp:inchikey": "RNFNDJAIBTYOQL-UHFFFAOYSA-N", "seeAlso": "compound:2707", "altLabel": [ "trichlooracetal-dehyde-hydraat", "trichlooracetaldehyde-hydraat" ], "closeMatch": [ "wise:CAS_302-17-0", "concept:RNFNDJAIBTYOQL-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_302-17-0", "concept:RNFNDJAIBTYOQL-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_302-17-0", "concept:RNFNDJAIBTYOQL-UHFFFAOYSA-N" ], "notation": "Clahdt", "prefLabel": "chloralhydraat", "semanticRelation": [ "wise:CAS_302-17-0", "concept:RNFNDJAIBTYOQL-UHFFFAOYSA-N" ] }, { "id": "concept:ROSDSFDQCJNGOL-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "124-40-3", "dbo:formula": "C2H7N", "dbo:inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3", "iupacName": "N-Methylmethanamine", "pubchem": "674", "dbo:smiles": "CNC", "dbp:inchikey": "ROSDSFDQCJNGOL-UHFFFAOYSA-N", "comment": "VLAREM II bijlage 4.4.2", "seeAlso": "compound:674", "altLabel": "dimethylamine", "closeMatch": [ "wise:CAS_124-40-3", "concept:ROSDSFDQCJNGOL-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_124-40-3", "concept:ROSDSFDQCJNGOL-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_124-40-3", "concept:ROSDSFDQCJNGOL-UHFFFAOYSA-N" ], "notation": "DC1yAe", "prefLabel": "dimethylamine", "semanticRelation": [ "wise:CAS_124-40-3", "concept:ROSDSFDQCJNGOL-UHFFFAOYSA-N" ] }, { "id": "concept:RPUMZMSNLZHIGZ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "35065-28-2", "dbo:formula": "C12H4Cl6", "dbo:inchi": "InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H", "iupacName": "1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene", "pubchem": "37035", "dbo:smiles": "C1=CC(=C(C(=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "RPUMZMSNLZHIGZ-UHFFFAOYSA-N", "seeAlso": "compound:37035", "altLabel": [ "2,2',3,4,4',5'-hexachloorbifenyl (pcb138)", "PCB-138", "pcb 138", "pcb-138" ], "closeMatch": [ "wise:CAS_35065-28-2", "concept:RPUMZMSNLZHIGZ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_35065-28-2", "concept:RPUMZMSNLZHIGZ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_35065-28-2", "concept:RPUMZMSNLZHIGZ-UHFFFAOYSA-N" ], "notation": "PCB138", "prefLabel": "2,2',3,4,4',5'-hexachloorbifenyl", "semanticRelation": [ "wise:CAS_35065-28-2", "concept:RPUMZMSNLZHIGZ-UHFFFAOYSA-N" ] }, { "id": "concept:RQKFYFNZSHWXAW-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "95-74-9", "dbo:formula": "C7H8ClN", "dbo:inchi": "InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3", "iupacName": "3-Chloro-4-methylaniline", "pubchem": "7255", "dbo:smiles": "CC1=C(C=C(C=C1)N)Cl", "dbp:inchikey": "RQKFYFNZSHWXAW-UHFFFAOYSA-N", "seeAlso": "compound:7255", "closeMatch": [ "wise:CAS_95-74-9", "concept:RQKFYFNZSHWXAW-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_95-74-9", "concept:RQKFYFNZSHWXAW-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_95-74-9", "concept:RQKFYFNZSHWXAW-UHFFFAOYSA-N" ], "notation": "3Cl4C1yAn", "prefLabel": "3-chloor-4-methylaniline", "semanticRelation": [ "wise:CAS_95-74-9", "concept:RQKFYFNZSHWXAW-UHFFFAOYSA-N" ] }, { "id": "concept:RQNWIZPPADIBDY-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "39277-51-5", "55624-62-9", "7440-38-2", "7784-42-1" ], "dbo:formula": "As", "dbo:inchi": "InChI=1S/As", "iupacName": "Arsenic", "pubchem": "5359596", "dbo:smiles": "[As]", "dbp:inchikey": "RQNWIZPPADIBDY-UHFFFAOYSA-N", "comment": [ "VLAREM II bijlage 4.4.2", "VLAR (D2) 'arseen'", "VLAR II (D5) 'arseen en arseenverbindingen, uitgedrukt als arseen (As)'", "VLAR II bijl. 4.4.2 'arseen en zijn verbindingen, uitgedrukt in As'", "VLAR III (D3) 'Arseen en de verbindingen daarvan, uitgedrukt als arseen (As)'", "VLAR III (D3) 'AsH3'", "VLAR III (D3, diverse art) 'As'", "VLAR bijl. 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"7440-32-6" ], "dbo:formula": "Ti", "dbo:inchi": "InChI=1S/Ti", "iupacName": "TITANIUM", "pubchem": "23963", "dbo:smiles": "[Ti]", "dbp:inchikey": "RTAQQCXQSZGOHL-UHFFFAOYSA-N", "seeAlso": "compound:23963", "altLabel": "titanium", "closeMatch": [ "wise:CAS_7440-32-6", "concept:RTAQQCXQSZGOHL-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_7440-32-6", "concept:RTAQQCXQSZGOHL-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7440-32-6", "concept:RTAQQCXQSZGOHL-UHFFFAOYSA-N" ], "notation": "Ti", "prefLabel": "titaan", "semanticRelation": [ "wise:CAS_7440-32-6", "concept:RTAQQCXQSZGOHL-UHFFFAOYSA-N" ] }, { "id": "concept:RTHCYVBBDHJXIQ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "52341-67-0", "54910-89-3", "57226-07-0" ], "dbo:formula": "C17H18F3NO", "dbo:inchi": "InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3", 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"concept:SBPBAQFWLVIOKP-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "12768-48-8", "2921-88-2", "39475-55-3" ], "dbo:formula": "C9H11Cl3NO3PS", "dbo:inchi": "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3", "iupacName": "diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane", "pubchem": "2730", "dbo:smiles": "CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl", "dbp:inchikey": "SBPBAQFWLVIOKP-UHFFFAOYSA-N", "seeAlso": "compound:2730", "altLabel": [ "chloorpyrifos", "chlorpyrifos", "ethylchloorpyrifos" ], "closeMatch": [ "wise:CAS_2921-88-2", "concept:SBPBAQFWLVIOKP-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_2921-88-2", "concept:SBPBAQFWLVIOKP-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_2921-88-2", "concept:SBPBAQFWLVIOKP-UHFFFAOYSA-N" ], "notation": "C2yClprfs", "prefLabel": "chloorpyrifos-ethyl", "semanticRelation": [ "wise:CAS_2921-88-2", "concept:SBPBAQFWLVIOKP-UHFFFAOYSA-N" ] }, { "id": "concept:SCYULBFZEHDVBN-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "75-34-3", "dbo:formula": "C2H4Cl2", "dbo:inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3", "iupacName": "1,1-DICHLOROETHANE", "pubchem": "6365", "dbo:smiles": "CC(Cl)Cl", "dbp:inchikey": "SCYULBFZEHDVBN-UHFFFAOYSA-N", "seeAlso": "compound:6365", "closeMatch": [ "wise:CAS_75-34-3", "concept:SCYULBFZEHDVBN-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_75-34-3", "concept:SCYULBFZEHDVBN-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_75-34-3", "concept:SCYULBFZEHDVBN-UHFFFAOYSA-N" ], "notation": "11DClC2a", "prefLabel": "1,1-dichloorethaan", "semanticRelation": [ "wise:CAS_75-34-3", "concept:SCYULBFZEHDVBN-UHFFFAOYSA-N" ] }, { "id": "concept:SDYWXFYBZPNOFX-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "95-76-1", "dbo:formula": "C6H5Cl2N", "dbo:inchi": "InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2", "iupacName": "3,4-Dichloroaniline", "pubchem": "7257", "dbo:smiles": "C1=CC(=C(C=C1N)Cl)Cl", "dbp:inchikey": "SDYWXFYBZPNOFX-UHFFFAOYSA-N", "seeAlso": "compound:7257", "closeMatch": [ "wise:CAS_95-76-1", "concept:SDYWXFYBZPNOFX-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_95-76-1", "concept:SDYWXFYBZPNOFX-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_95-76-1", "concept:SDYWXFYBZPNOFX-UHFFFAOYSA-N" ], "notation": "34DClAn", "prefLabel": "3,4-dichlooraniline", "semanticRelation": [ "wise:CAS_95-76-1", "concept:SDYWXFYBZPNOFX-UHFFFAOYSA-N" ] }, { "id": "concept:SMDHCQAYESWHAE-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "1861-40-1", "dbo:formula": "C13H16F3N3O4", "dbo:inchi": "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3", "iupacName": "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline", "pubchem": "2319", "dbo:smiles": "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]", "dbp:inchikey": "SMDHCQAYESWHAE-UHFFFAOYSA-N", "seeAlso": "compound:2319", "closeMatch": [ "wise:CAS_1861-40-1", "concept:SMDHCQAYESWHAE-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_1861-40-1", "concept:SMDHCQAYESWHAE-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_1861-40-1", "concept:SMDHCQAYESWHAE-UHFFFAOYSA-N" ], "notation": "benfn", "prefLabel": "benefin", "semanticRelation": [ "wise:CAS_1861-40-1", "concept:SMDHCQAYESWHAE-UHFFFAOYSA-N" ] }, { "id": "concept:SMYMJHWAQXWPDB-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "93-76-5", "dbo:formula": "C8H5Cl3O3", "dbo:inchi": "InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)", "iupacName": "2-(2,4,5-trichlorophenoxy)acetic acid", "pubchem": "1480", "dbo:smiles": "C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O", "dbp:inchikey": "SMYMJHWAQXWPDB-UHFFFAOYSA-N", "seeAlso": "compound:1480", "altLabel": [ "(2,4,5-trichloorfenoxy)-azijnzuur (2,4,5-t)", "2,4,5-trichloorfenoxyazijnzuur" ], "closeMatch": [ "wise:CAS_93-76-5", "concept:SMYMJHWAQXWPDB-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_93-76-5", "concept:SMYMJHWAQXWPDB-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_93-76-5", "concept:SMYMJHWAQXWPDB-UHFFFAOYSA-N" ], "notation": "245T", "prefLabel": "(2,4,5-trichloorfenoxy)azijnzuur (2,4,5-t)", "semanticRelation": [ "wise:CAS_93-76-5", "concept:SMYMJHWAQXWPDB-UHFFFAOYSA-N" ] }, { "id": "concept:SNGREZUHAYWORS-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "33496-48-9", "335-67-1", "65618-66-8" ], "dbo:formula": "C8HF15O2", "dbo:inchi": "InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)", "iupacName": "2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid", "pubchem": "9554", "dbo:smiles": "C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O", "dbp:inchikey": "SNGREZUHAYWORS-UHFFFAOYSA-N", "seeAlso": "compound:9554", "altLabel": [ "perfluor-n-octaanzuur", "perfluoroctaanzuur (pfoa)" ], "closeMatch": [ "wise:CAS_335-67-1", "concept:SNGREZUHAYWORS-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_335-67-1", "concept:SNGREZUHAYWORS-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_335-67-1", "concept:SNGREZUHAYWORS-UHFFFAOYSA-N" ], "notation": "PFOA", "prefLabel": "perfluoroctaanzuur", "semanticRelation": [ "wise:CAS_335-67-1", "concept:SNGREZUHAYWORS-UHFFFAOYSA-N" ] }, { "id": "concept:SQFLFRQWPBEDHM-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "89-59-8", "dbo:formula": "C7H6ClNO2", "dbo:inchi": "InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3", "iupacName": "4-chloro-1-methyl-2-nitrobenzene", "pubchem": "6975", "dbo:smiles": "CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]", "dbp:inchikey": "SQFLFRQWPBEDHM-UHFFFAOYSA-N", "seeAlso": "compound:6975", "closeMatch": [ "wise:CAS_89-59-8", "concept:SQFLFRQWPBEDHM-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_89-59-8", "concept:SQFLFRQWPBEDHM-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_89-59-8", "concept:SQFLFRQWPBEDHM-UHFFFAOYSA-N" ], "notation": "4Cl2NO2Tol", "prefLabel": "4-chloor-2-nitrotolueen", "semanticRelation": [ "wise:CAS_89-59-8", "concept:SQFLFRQWPBEDHM-UHFFFAOYSA-N" ] }, { "id": "concept:STCOOQWBFONSKY-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "126-73-8", "15158-85-7", "19824-61-4", "80094-39-9" ], 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"C6H6ClNO", "dbo:inchi": "InChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2", "iupacName": "2-Amino-4-chlorophenol", "pubchem": "7265", "dbo:smiles": "C1=CC(=C(C=C1Cl)N)O", "dbp:inchikey": "SWFNPENEBHAHEB-UHFFFAOYSA-N", "seeAlso": "compound:7265", "closeMatch": [ "wise:CAS_95-85-2", "concept:SWFNPENEBHAHEB-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_95-85-2", "concept:SWFNPENEBHAHEB-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_95-85-2", "concept:SWFNPENEBHAHEB-UHFFFAOYSA-N" ], "notation": "2Ao4ClFol", "prefLabel": "2-amino-4-chloorfenol", "semanticRelation": [ "wise:CAS_95-85-2", "concept:SWFNPENEBHAHEB-UHFFFAOYSA-N" ] }, { "id": "concept:SXDBWCPKPHAZSM-UHFFFAOYSA-M", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "15541-45-4", "dbo:formula": "BrO3-", "dbo:inchi": "InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)/p-1", "iupacName": "bromate", "pubchem": "84979", "dbo:smiles": "[O-]Br(=O)=O", 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"iupacName": "['2-CHLOROETHANOL', '2-chloroethynol']", "pubchem": "34", "dbo:smiles": "C(CCl)O", "dbp:inchikey": "SZIFAVKTNFCBPC-UHFFFAOYSA-N", "seeAlso": "compound:34", "closeMatch": [ "wise:CAS_107-07-3", "concept:SZIFAVKTNFCBPC-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_107-07-3", "concept:SZIFAVKTNFCBPC-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_107-07-3", "concept:SZIFAVKTNFCBPC-UHFFFAOYSA-N" ], "notation": "2ClC2ol", "prefLabel": "2-chloorethanol", "semanticRelation": [ "wise:CAS_107-07-3", "concept:SZIFAVKTNFCBPC-UHFFFAOYSA-N" ] }, { "id": "concept:TUAMRELNJMMDMT-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "108-68-9", "50356-23-5" ], "dbo:formula": "C8H10O", "dbo:inchi": "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3", "iupacName": "3,5-Dimethylphenol", "pubchem": "7948", "dbo:smiles": "CC1=CC(=CC(=C1)O)C", "dbp:inchikey": 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"dbp:inchikey": "TVLSRXXIMLFWEO-UHFFFAOYSA-N", "seeAlso": "compound:73665", "closeMatch": [ "wise:CAS_67747-09-5", "concept:TVLSRXXIMLFWEO-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_67747-09-5", "concept:TVLSRXXIMLFWEO-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_67747-09-5", "concept:TVLSRXXIMLFWEO-UHFFFAOYSA-N" ], "notation": "proClaz", "prefLabel": "prochloraz", "semanticRelation": [ "wise:CAS_67747-09-5", "concept:TVLSRXXIMLFWEO-UHFFFAOYSA-N" ] }, { "id": "concept:TWFZGCMQGLPBSX-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "102040-01-7", "105268-95-9", "10605-21-7", "110342-67-1", "212384-28-6", "37953-07-4", "39413-19-9", "59758-95-1", "63090-40-4", "63278-70-6" ], "dbo:formula": "C9H9N3O2", "dbo:inchi": "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)", "iupacName": "methyl N-(1H-benzimidazol-2-yl)carbamate", "pubchem": 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"C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl", "dbp:inchikey": "UOAMTSKGCBMZTC-UHFFFAOYSA-N", "seeAlso": "compound:8268", "altLabel": "p,p’-dicofol", "closeMatch": [ "wise:CAS_115-32-2", "concept:UOAMTSKGCBMZTC-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_115-32-2", "concept:UOAMTSKGCBMZTC-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_115-32-2", "concept:UOAMTSKGCBMZTC-UHFFFAOYSA-N" ], "notation": "Dcfl", "prefLabel": "dicofol", "semanticRelation": [ "wise:CAS_115-32-2", "concept:UOAMTSKGCBMZTC-UHFFFAOYSA-N" ] }, { "id": "concept:UOCLXMDMGBRAIB-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "71-55-6", "74552-83-3" ], "dbo:formula": "C2H3Cl3", "dbo:inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3", "iupacName": "1,1,1-Trichloroethane", "pubchem": "6278", "dbo:smiles": "CC(Cl)(Cl)Cl", "dbp:inchikey": "UOCLXMDMGBRAIB-UHFFFAOYSA-N", "comment": [ "VLAR II bijl. 4.4.2", "VLAR II 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"trans-1,3-dichloorpropeen", "closeMatch": [ "wise:CAS_10061-02-6", "concept:UOORRWUZONOOLO-OWOJBTEDSA-N" ], "exactMatch": [ "wise:CAS_10061-02-6", "concept:UOORRWUZONOOLO-OWOJBTEDSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_10061-02-6", "concept:UOORRWUZONOOLO-OWOJBTEDSA-N" ], "notation": [ "c12DClC3e", "t13DClC3e" ], "prefLabel": "cis-1,2-dichloorpropeen", "semanticRelation": [ "wise:CAS_10061-02-6", "concept:UOORRWUZONOOLO-OWOJBTEDSA-N" ] }, { "id": "concept:UOORRWUZONOOLO-UPHRSURJSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "10061-01-5", "542-75-6" ], "dbo:formula": "C3H4Cl2", "dbo:inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-", "iupacName": "(Z)-1,3-dichloroprop-1-ene", "pubchem": "5280970", "dbo:smiles": "C(C=CCl)Cl", "dbp:inchikey": "UOORRWUZONOOLO-UPHRSURJSA-N", "seeAlso": "compound:5280970", "altLabel": [ "1,3-dichloorpropeen (cis+trans)", "1,3-dichloorpropeen", "1,3-dichloorpropeen, cis" ], "closeMatch": [ "wise:CAS_10061-01-5", "wise:CAS_542-75-6", "concept:UOORRWUZONOOLO-UPHRSURJSA-N" ], "exactMatch": [ "wise:CAS_10061-01-5", "wise:CAS_542-75-6", "concept:UOORRWUZONOOLO-UPHRSURJSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_10061-01-5", "wise:CAS_542-75-6", "concept:UOORRWUZONOOLO-UPHRSURJSA-N" ], "notation": [ "13DClC3e", "c13DClC3e" ], "prefLabel": "cis-1,3-dichloorpropeen", "semanticRelation": [ "wise:CAS_10061-01-5", "wise:CAS_542-75-6", "concept:UOORRWUZONOOLO-UPHRSURJSA-N" ] }, { "id": "concept:UPMXNNIRAGDFEH-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "1689-84-5", "dbo:formula": "C7H3Br2NO", "dbo:inchi": "InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H", "iupacName": "3,5-Dibromo-4-hydroxybenzonitrile", "pubchem": "15531", "dbo:smiles": "C1=C(C=C(C(=C1Br)O)Br)C#N", "dbp:inchikey": "UPMXNNIRAGDFEH-UHFFFAOYSA-N", "seeAlso": "compound:15531", "altLabel": "bromoxynil", "closeMatch": [ "wise:CAS_1689-84-5", "concept:UPMXNNIRAGDFEH-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_1689-84-5", "concept:UPMXNNIRAGDFEH-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_1689-84-5", "concept:UPMXNNIRAGDFEH-UHFFFAOYSA-N" ], "notation": "BrOxnl", "prefLabel": "broomoxynil", "semanticRelation": [ "wise:CAS_1689-84-5", "concept:UPMXNNIRAGDFEH-UHFFFAOYSA-N" ] }, { "id": "concept:UQMGJOKDKOLIDP-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "32598-13-3", "80333-65-9" ], "dbo:formula": "C12H6Cl4", "dbo:inchi": "InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H", "iupacName": "1,2-dichloro-4-(3,4-dichlorophenyl)benzene", "pubchem": "36187", "dbo:smiles": "C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl", "dbp:inchikey": "UQMGJOKDKOLIDP-UHFFFAOYSA-N", "comment": "VLAR III (D3) 'dioxineachtige PCB's'", "seeAlso": "compound:36187", "altLabel": [ "3,3',4,4'-tetrachloorbifenyl (pcb77)", "3,3',4,4'-tetrachloorbifenyl", "PCB77", "pcb 77" ], "closeMatch": [ "wise:CAS_32598-13-3", "concept:UQMGJOKDKOLIDP-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_32598-13-3", "concept:UQMGJOKDKOLIDP-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_32598-13-3", "concept:UQMGJOKDKOLIDP-UHFFFAOYSA-N" ], "notation": "PCB77", "prefLabel": "pcb77", "semanticRelation": [ "wise:CAS_32598-13-3", "concept:UQMGJOKDKOLIDP-UHFFFAOYSA-N" ] }, { "id": "concept:UQRLKWGPEVNVHT-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "626-43-7", "dbo:formula": "C6H5Cl2N", "dbo:inchi": "InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2", "iupacName": "3,5-DICHLOROANILINE", "pubchem": "12281", "dbo:smiles": "C1=C(C=C(C=C1Cl)Cl)N", "dbp:inchikey": "UQRLKWGPEVNVHT-UHFFFAOYSA-N", "seeAlso": "compound:12281", 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"wise:CAS_106-42-3", "concept:URLKBWYHVLBVBO-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_106-42-3", "concept:URLKBWYHVLBVBO-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_106-42-3", "concept:URLKBWYHVLBVBO-UHFFFAOYSA-N" ], "notation": "14xyln", "prefLabel": "para-xyleen", "semanticRelation": [ "wise:CAS_106-42-3", "concept:URLKBWYHVLBVBO-UHFFFAOYSA-N" ] }, { "id": "concept:VEORPZCZECFIRK-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "107719-55-1", "108608-60-2", "110670-65-0", "124779-54-0", "131891-38-8", "25639-54-7", "26446-62-8", "30496-13-0", "51253-31-7", "7300-23-4", "76341-26-9", "79-94-7" ], "dbo:formula": "C15H12Br4O2", "dbo:inchi": "InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3", "iupacName": "2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol", "pubchem": "6618", "dbo:smiles": "CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br", "dbp:inchikey": "VEORPZCZECFIRK-UHFFFAOYSA-N", "seeAlso": "compound:6618", "altLabel": [ "tetrabroombisfenol A", "tetrabroombisfenol-a" ], "closeMatch": [ "wise:CAS_79-94-7", "concept:VEORPZCZECFIRK-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_79-94-7", "concept:VEORPZCZECFIRK-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_79-94-7", "concept:VEORPZCZECFIRK-UHFFFAOYSA-N" ], "notation": "T4BrbFolA", "prefLabel": "tetrabroombisfenol a", "semanticRelation": [ "wise:CAS_79-94-7", "concept:VEORPZCZECFIRK-UHFFFAOYSA-N" ] }, { "id": "concept:VEXZGXHMUGYJMC-UHFFFAOYSA-M", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "16887-00-6", "dbo:formula": "Cl-", "dbo:inchi": "InChI=1S/ClH/h1H/p-1", "iupacName": "chloride", "pubchem": "312", "dbo:smiles": "[Cl-]", "dbp:inchikey": "VEXZGXHMUGYJMC-UHFFFAOYSA-M", "seeAlso": "compound:312", "closeMatch": [ "wise:CAS_16887-00-6", "concept:VEXZGXHMUGYJMC-UHFFFAOYSA-M" ], "exactMatch": [ "wise:CAS_16887-00-6", "concept:VEXZGXHMUGYJMC-UHFFFAOYSA-M" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_16887-00-6", "concept:VEXZGXHMUGYJMC-UHFFFAOYSA-M" ], "notation": "Cl", "prefLabel": "chloride", "semanticRelation": [ "wise:CAS_16887-00-6", "concept:VEXZGXHMUGYJMC-UHFFFAOYSA-M" ] }, { "id": "concept:VEZCTZWLJYWARH-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "55673-89-7", "dbo:formula": "C12HCl7O", "dbo:inchi": "InChI=1S/C12HCl7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H", "iupacName": "1,2,3,4,7,8,9-HEPTACHLORODIBENZOFURAN", "pubchem": "41510", "dbo:smiles": "C1=C2C(=C(C(=C1Cl)Cl)Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl", "dbp:inchikey": "VEZCTZWLJYWARH-UHFFFAOYSA-N", "comment": [ "VLAR II+ bijlagen", "VLAR III (D3, diverse art) 'dioxinen en furanen'" ], "seeAlso": "compound:41510", 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"conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_67-72-1", "concept:VHHHONWQHHHLTI-UHFFFAOYSA-N" ], "notation": "HxClC2a", "prefLabel": "hexachloorethaan", "semanticRelation": [ "wise:CAS_67-72-1", "concept:VHHHONWQHHHLTI-UHFFFAOYSA-N" ] }, { "id": "concept:VJYFKVYYMZPMAB-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "13194-48-4", "dbo:formula": "C8H19O2PS2", "dbo:inchi": "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3", "iupacName": "1-(ethoxy-propylsulfanylphosphoryl)sulfanylpropane", "pubchem": "3289", "dbo:smiles": "CCCSP(=O)(OCC)SCCC", "dbp:inchikey": "VJYFKVYYMZPMAB-UHFFFAOYSA-N", "seeAlso": "compound:3289", "closeMatch": [ "wise:CAS_13194-48-4", "concept:VJYFKVYYMZPMAB-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_13194-48-4", "concept:VJYFKVYYMZPMAB-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_13194-48-4", "concept:VJYFKVYYMZPMAB-UHFFFAOYSA-N" ], "notation": "etpfs", "prefLabel": "ethoprofos", "semanticRelation": [ "wise:CAS_13194-48-4", "concept:VJYFKVYYMZPMAB-UHFFFAOYSA-N" ] }, { "id": "concept:VOXZDWNPVJITMN-ZBRFXRBCSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "50-28-2", "73459-61-7" ], "dbo:formula": "C18H24O2", "dbo:inchi": "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1", "iupacName": "(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol", "pubchem": "5757", "dbo:smiles": "CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O", "dbp:inchikey": "VOXZDWNPVJITMN-ZBRFXRBCSA-N", "seeAlso": "compound:5757", "altLabel": "17beta-estradiol", "closeMatch": [ "wise:CAS_50-28-2", "concept:VOXZDWNPVJITMN-ZBRFXRBCSA-N" ], "exactMatch": [ "wise:CAS_50-28-2", "concept:VOXZDWNPVJITMN-ZBRFXRBCSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_50-28-2", "concept:VOXZDWNPVJITMN-ZBRFXRBCSA-N" ], "notation": "17bestDol", "prefLabel": "17-beta-estradiol", "semanticRelation": [ "wise:CAS_50-28-2", "concept:VOXZDWNPVJITMN-ZBRFXRBCSA-N" ] }, { "id": "concept:VTNQPKFIQCLBDU-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "123113-74-6", "34256-82-1" ], "dbo:formula": "C14H20ClNO2", "dbo:inchi": "InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3", "iupacName": "2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide", "pubchem": "1988", "dbo:smiles": "CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C", "dbp:inchikey": "VTNQPKFIQCLBDU-UHFFFAOYSA-N", "seeAlso": "compound:1988", "closeMatch": [ "wise:CAS_34256-82-1", "concept:VTNQPKFIQCLBDU-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_34256-82-1", "concept:VTNQPKFIQCLBDU-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_34256-82-1", "concept:VTNQPKFIQCLBDU-UHFFFAOYSA-N" ], "notation": "actCl", "prefLabel": "acetochloor", "semanticRelation": [ "wise:CAS_34256-82-1", "concept:VTNQPKFIQCLBDU-UHFFFAOYSA-N" ] }, { "id": "concept:VUNCWTMEJYMOOR-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "77-47-4", "dbo:formula": "C5Cl6", "dbo:inchi": "InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8", "iupacName": "1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene", "pubchem": "6478", "dbo:smiles": "C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl", "dbp:inchikey": "VUNCWTMEJYMOOR-UHFFFAOYSA-N", "seeAlso": "compound:6478", "altLabel": [ "hexachloorcyclopentadieen (HCCPD)", "hexachloorcyclopentadieen (hccpd)" ], "closeMatch": [ "wise:CAS_77-47-4", "concept:VUNCWTMEJYMOOR-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_77-47-4", "concept:VUNCWTMEJYMOOR-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_77-47-4", "concept:VUNCWTMEJYMOOR-UHFFFAOYSA-N" ], "notation": "HCCPD", "prefLabel": "hexachloorcyclopentadieen", "semanticRelation": [ "wise:CAS_77-47-4", "concept:VUNCWTMEJYMOOR-UHFFFAOYSA-N" ] }, { "id": "concept:VYZAHLCBVHPDDF-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "97-00-7", "dbo:formula": "C6H3ClN2O4", "dbo:inchi": "InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H", "iupacName": "1-chloro-2,4-dinitrobenzene", "pubchem": "6", "dbo:smiles": "C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl", "dbp:inchikey": "VYZAHLCBVHPDDF-UHFFFAOYSA-N", "seeAlso": "compound:6", "closeMatch": [ "wise:CAS_97-00-7", "concept:VYZAHLCBVHPDDF-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_97-00-7", "concept:VYZAHLCBVHPDDF-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_97-00-7", "concept:VYZAHLCBVHPDDF-UHFFFAOYSA-N" ], "notation": "1Cl24DNO2Ben", "prefLabel": "1-chloor-2,4-dinitrobenzeen", "semanticRelation": [ "wise:CAS_97-00-7", "concept:VYZAHLCBVHPDDF-UHFFFAOYSA-N" ] }, { "id": "concept:VYZAMTAEIAYCRO-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "188785-87-7", "19498-56-7", "195161-82-1", "7440-47-3" ], "dbo:formula": "Cr", "dbo:inchi": "InChI=1S/Cr", "iupacName": "Chromium", "pubchem": "23976", "dbo:smiles": "[Cr]", "dbp:inchikey": "VYZAMTAEIAYCRO-UHFFFAOYSA-N", "comment": [ "VLAR II D5 'chroom en zijn verbindingen uitgedrukt in Cr' en 'chroom en chroomverbindingen, uitgedrukt als chroom (Cr)'", "VLAR II bijl. 4.4.2 'chroom en zijn verbindingen, uitgedrukt in Cr'", "VLAR III (D3, diverse art) 'Cr'" ], "seeAlso": "compound:23976", "altLabel": "chroom (Cr)", "closeMatch": [ "wise:CAS_7440-47-3", "concept:VYZAMTAEIAYCRO-UHFFFAOYSA-N" ], "definition": "chroom en chroomverbindingen, uitgedrukt als chroom (Cr)", "exactMatch": [ "wise:CAS_7440-47-3", "concept:VYZAMTAEIAYCRO-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7440-47-3", "concept:VYZAMTAEIAYCRO-UHFFFAOYSA-N" ], "notation": "Cr", "note": "chroom en chroomverbindingen, uitgedrukt als chroom (Cr)", "prefLabel": "chroom", "semanticRelation": [ "wise:CAS_7440-47-3", "concept:VYZAMTAEIAYCRO-UHFFFAOYSA-N" ] }, { "id": "concept:VZGDMQKNWNREIO-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "56-23-5", "dbo:formula": "CCl4", "dbo:inchi": "InChI=1S/CCl4/c2-1(3,4)5", "iupacName": "Tetrachloromethane", "pubchem": "5943", "dbo:smiles": "C(Cl)(Cl)(Cl)Cl", "dbp:inchikey": "VZGDMQKNWNREIO-UHFFFAOYSA-N", "comment": [ "VLAR II bijl. 4.4.2", "VLAR III (D3)" ], "seeAlso": "compound:5943", "altLabel": [ "tetrachloormethaan (tetra)", "tetrachloormethaan" ], "closeMatch": [ "wise:CAS_56-23-5", "concept:VZGDMQKNWNREIO-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_56-23-5", "concept:VZGDMQKNWNREIO-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_56-23-5", "concept:VZGDMQKNWNREIO-UHFFFAOYSA-N" ], "notation": "T4ClC1a", "prefLabel": "koolstoftetrachloride", "semanticRelation": [ "wise:CAS_56-23-5", "concept:VZGDMQKNWNREIO-UHFFFAOYSA-N" ] }, { "id": "concept:WABPQHHGFIMREM-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "14701-27-0", "15158-12-0", "54076-28-7", "724427-66-1", "7439-92-1" ], "dbo:formula": "Pb", "dbo:inchi": "InChI=1S/Pb", "iupacName": "Lead", "pubchem": "5352425", "dbo:smiles": "[Pb]", "dbp:inchikey": "WABPQHHGFIMREM-UHFFFAOYSA-N", "comment": [ "VLAR II (D2), diverse artikels 'lood'", "VLAR II (D5) 'lood en zijn verbindingen, uitgedrukt in/als Pb' 'lood en loodverbindingen, uitgedrukt als lood (Pb)'", "VLAR II bijl. 4.4.2 'lood en zijn verbindingen, uitgedrukt in Pb'", "VLAR III (D3) 'lood en loodverbindingen, uitgedrukt als lood (Pb)'", "VLAR III (D3) 'lood-verbindingen, uitgedrukt als Pb'", "VLAR III (D3, diverse art) 'Pb'", "VLAR III (D3, diverse art) 'lood en zijn verbindingen, uitgedrukt in Pb'", "VLAR bijl. 2.5.2. 'lood'" ], "seeAlso": "compound:5352425", "altLabel": "lood (Pb)", "closeMatch": [ "wise:CAS_7439-92-1", "concept:WABPQHHGFIMREM-UHFFFAOYSA-N" ], "definition": "lood en loodverbindingen, uitgedrukt als lood (Pb)", "exactMatch": [ "wise:CAS_7439-92-1", "concept:WABPQHHGFIMREM-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7439-92-1", "concept:WABPQHHGFIMREM-UHFFFAOYSA-N" ], "notation": "Pb", "note": "lood en loodverbindingen, uitgedrukt als lood (Pb)", "prefLabel": "lood", "semanticRelation": [ "wise:CAS_7439-92-1", "concept:WABPQHHGFIMREM-UHFFFAOYSA-N" ] }, { "id": "concept:WBEJYOJJBDISQU-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "105567-86-0", "67708-83-2", "96-12-8" ], "dbo:formula": "C3H5Br2Cl", "dbo:inchi": "InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2", "iupacName": "1,2-Dibromo-3-chloropropane", "pubchem": "7280", "dbo:smiles": "C(C(CBr)Br)Cl", "dbp:inchikey": "WBEJYOJJBDISQU-UHFFFAOYSA-N", "seeAlso": "compound:7280", "closeMatch": [ "wise:CAS_96-12-8", "concept:WBEJYOJJBDISQU-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_96-12-8", "concept:WBEJYOJJBDISQU-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_96-12-8", "concept:WBEJYOJJBDISQU-UHFFFAOYSA-N" ], "notation": "12DBr3ClC3a", "prefLabel": "1,2-dibroom-3-chloorpropaan", "semanticRelation": [ "wise:CAS_96-12-8", "concept:WBEJYOJJBDISQU-UHFFFAOYSA-N" ] }, { "id": "concept:WBHQEUPUMONIKF-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "35065-29-3", "dbo:formula": "C12H3Cl7", "dbo:inchi": "InChI=1S/C12H3Cl7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H", "iupacName": "1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene", "pubchem": "37036", "dbo:smiles": "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl", "dbp:inchikey": "WBHQEUPUMONIKF-UHFFFAOYSA-N", "seeAlso": "compound:37036", "altLabel": [ "2,2',3,4,4',5,5'-heptachloorbifenyl (pcb180)", "2,2',3,4,4',5,5'-heptachloorbifenyl", "PCB-180", "pcb-180" ], "closeMatch": [ "wise:CAS_35065-29-3", "concept:WBHQEUPUMONIKF-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_35065-29-3", "concept:WBHQEUPUMONIKF-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_35065-29-3", "concept:WBHQEUPUMONIKF-UHFFFAOYSA-N" ], "notation": "PCB180", "prefLabel": "pcb 180", "semanticRelation": [ "wise:CAS_35065-29-3", "concept:WBHQEUPUMONIKF-UHFFFAOYSA-N" ] }, { "id": "concept:WCLNVRQZUKYVAI-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "35822-46-9", "dbo:formula": "C12HCl7O2", "dbo:inchi": "InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H", "iupacName": "1,2,3,4,6,7,8-heptachlorooxanthrene", "pubchem": "37270", "dbo:smiles": "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl", "dbp:inchikey": "WCLNVRQZUKYVAI-UHFFFAOYSA-N", "comment": [ "VLAR II+ bijlagen", "VLAR III (D3, diverse art) 'dioxinen en furanen'" ], "seeAlso": "compound:37270", "altLabel": [ " 1,2,3,4,6,7,8-heptachloordibenzodioxine", "1,2,3,4,6,7,8-heptachloordibenzo-p-dioxine", "1,2,3,4,6,7,8-heptachloordibenzodioxine (hpcdd)", "1,2,3,4,6,7,8-heptachloordibenzodioxine" ], "closeMatch": [ "wise:CAS_35822-46-9", "concept:WCLNVRQZUKYVAI-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_35822-46-9", "concept:WCLNVRQZUKYVAI-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_35822-46-9", "concept:WCLNVRQZUKYVAI-UHFFFAOYSA-N" ], "notation": "PCDD73", "prefLabel": "1,2,3,4,6,7,8-heptachloordibenzo-para-dioxine", "semanticRelation": [ "wise:CAS_35822-46-9", "concept:WCLNVRQZUKYVAI-UHFFFAOYSA-N" ] }, { "id": "concept:WCXDHFDTOYPNIE-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "135410-20-7", "160430-64-8" ], "dbo:formula": "C10H11ClN4", "dbo:inchi": "InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3", "iupacName": "N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide", "pubchem": "213021", "dbo:smiles": "CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl", "dbp:inchikey": "WCXDHFDTOYPNIE-UHFFFAOYSA-N", "seeAlso": "compound:213021", "closeMatch": [ "wise:CAS_135410-20-7", "concept:WCXDHFDTOYPNIE-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_135410-20-7", "concept:WCXDHFDTOYPNIE-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_135410-20-7", "concept:WCXDHFDTOYPNIE-UHFFFAOYSA-N" ], "notation": "actmpd", "prefLabel": "acetamiprid", "semanticRelation": [ "wise:CAS_135410-20-7", "concept:WCXDHFDTOYPNIE-UHFFFAOYSA-N" ] }, { "id": "concept:WCYYQNSQJHPVMG-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "39227-28-6", "dbo:formula": "C12H2Cl6O2", "dbo:inchi": "InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H", "iupacName": "1,2,3,4,7,8-hexachlorooxanthrene", "pubchem": "38251", "dbo:smiles": "C1=C2C(=CC(=C1Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl", "dbp:inchikey": "WCYYQNSQJHPVMG-UHFFFAOYSA-N", "comment": [ "VLAR II+ bijlagen", "VLAR III (D3, diverse art) 'dioxinen en furanen'" ], "seeAlso": "compound:38251", "altLabel": [ " 1,2,3,4,7,8-hexachloordibenzodioxine", "1,2,3,4,7,8-hexachloordibenzo-p-dioxine", "1,2,3,4,7,8-hexachloordibenzo-para-dioxine", "1,2,3,4,7,8-hexachloordibenzodioxine (hxcdd)" ], "closeMatch": [ "wise:CAS_39227-28-6", "concept:WCYYQNSQJHPVMG-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_39227-28-6", "concept:WCYYQNSQJHPVMG-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_39227-28-6", "concept:WCYYQNSQJHPVMG-UHFFFAOYSA-N" ], "notation": "PCDD66", "prefLabel": "1,2,3,4,7,8-hexachloordibenzodioxine", "semanticRelation": [ "wise:CAS_39227-28-6", "concept:WCYYQNSQJHPVMG-UHFFFAOYSA-N" ] }, { "id": "concept:WDECIBYCCFPHNR-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "218-01-9", "27274-05-1", "65777-08-4" ], "dbo:formula": "C18H12", "dbo:inchi": "InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H", "iupacName": "Chrysene", "pubchem": "9171", "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43", "dbp:inchikey": "WDECIBYCCFPHNR-UHFFFAOYSA-N", "seeAlso": "compound:9171", "closeMatch": [ "wise:CAS_218-01-9", "concept:WDECIBYCCFPHNR-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_218-01-9", "concept:WDECIBYCCFPHNR-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_218-01-9", "concept:WDECIBYCCFPHNR-UHFFFAOYSA-N" ], "notation": "Chr", "prefLabel": "chryseen", "semanticRelation": [ "wise:CAS_218-01-9", "concept:WDECIBYCCFPHNR-UHFFFAOYSA-N" ] }, { "id": "concept:WDMKCPIVJOGHBF-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "38998-75-3", "67562-39-4", "67652-39-5" ], "dbo:formula": "C12HCl7O", "dbo:inchi": "InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H", "iupacName": "1,2,3,4,6,7,8-HEPTACHLORODIBENZOFURAN", "pubchem": "38199", "dbo:smiles": "C1=C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)OC2=C(C(=C1Cl)Cl)Cl", "dbp:inchikey": "WDMKCPIVJOGHBF-UHFFFAOYSA-N", "comment": [ "VLAR II+ bijlagen", "VLAR III (D3, diverse art) 'dioxinen en furanen'" ], "seeAlso": "compound:38199", "altLabel": [ " 1,2,3,4,6,7,8-heptachloordibenzofuraan", "1,2,3,4,6,7,8-heptachloordibenzofuraan (hpcdf)", "1,2,3,4,6,7,8-heptachloordibenzofuran" ], "closeMatch": [ "wise:CAS_67562-39-4", "concept:WDMKCPIVJOGHBF-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_67562-39-4", "concept:WDMKCPIVJOGHBF-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_67562-39-4", "concept:WDMKCPIVJOGHBF-UHFFFAOYSA-N" ], "notation": "PCDF131", "prefLabel": "1,2,3,4,6,7,8-heptachloordibenzofuraan", "semanticRelation": [ "wise:CAS_67562-39-4", "concept:WDMKCPIVJOGHBF-UHFFFAOYSA-N" ] }, { "id": "concept:WEBQKRLKWNIYKK-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "919-86-8", "dbo:formula": "C6H15O3PS2", "dbo:inchi": "InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3", "iupacName": "1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane", "pubchem": "13526", "dbo:smiles": "CCSCCSP(=O)(OC)OC", "dbp:inchikey": "WEBQKRLKWNIYKK-UHFFFAOYSA-N", "seeAlso": "compound:13526", "altLabel": "demeton-s-methyl", "closeMatch": [ "wise:CAS_919-86-8", "concept:WEBQKRLKWNIYKK-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_919-86-8", "concept:WEBQKRLKWNIYKK-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_919-86-8", "concept:WEBQKRLKWNIYKK-UHFFFAOYSA-N" ], "notation": "demtSC1y", "prefLabel": "demeton-S-methyl", "semanticRelation": [ "wise:CAS_919-86-8", "concept:WEBQKRLKWNIYKK-UHFFFAOYSA-N" ] }, { "id": "concept:WFDXOXNFNRHQEC-GHRIWEEISA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "131860-33-8", "215934-32-0" ], "dbo:formula": "C22H17N3O5", "dbo:inchi": "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+", "iupacName": "methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate", "pubchem": "3034285", "dbo:smiles": "COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC", "dbp:inchikey": "WFDXOXNFNRHQEC-GHRIWEEISA-N", "seeAlso": "compound:3034285", "closeMatch": [ "wise:CAS_131860-33-8", "concept:WFDXOXNFNRHQEC-GHRIWEEISA-N" ], "exactMatch": [ "wise:CAS_131860-33-8", "concept:WFDXOXNFNRHQEC-GHRIWEEISA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_131860-33-8", "concept:WFDXOXNFNRHQEC-GHRIWEEISA-N" ], "notation": "azoxsbn", "prefLabel": "azoxystrobin", "semanticRelation": [ "wise:CAS_131860-33-8", "concept:WFDXOXNFNRHQEC-GHRIWEEISA-N" ] }, { "id": "concept:WFKWXMTUELFFGS-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "22541-98-6", "37374-90-6", "7440-33-7" ], "dbo:formula": "W", "dbo:inchi": "InChI=1S/W", "iupacName": "Tungsten", "pubchem": "23964", "dbo:smiles": "[W]", "dbp:inchikey": "WFKWXMTUELFFGS-UHFFFAOYSA-N", "seeAlso": "compound:23964", "closeMatch": [ "wise:CAS_7440-33-7", "concept:WFKWXMTUELFFGS-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_7440-33-7", "concept:WFKWXMTUELFFGS-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7440-33-7", "concept:WFKWXMTUELFFGS-UHFFFAOYSA-N" ], "notation": "W", "prefLabel": "wolfraam", "semanticRelation": [ "wise:CAS_7440-33-7", "concept:WFKWXMTUELFFGS-UHFFFAOYSA-N" ] }, { "id": "concept:WHHGLZMJPXIBIX-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "109945-70-2", "1163-19-5", "145538-74-5" ], "dbo:formula": "C12Br10O", "dbo:inchi": "InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22", "iupacName": "1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene", "pubchem": "14410", "dbo:smiles": "C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br", "dbp:inchikey": "WHHGLZMJPXIBIX-UHFFFAOYSA-N", "seeAlso": "compound:14410", "altLabel": [ "bde 209", "decabroomdifenylether (bde209)" ], "closeMatch": [ "wise:CAS_1163-19-5", "concept:WHHGLZMJPXIBIX-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_1163-19-5", "concept:WHHGLZMJPXIBIX-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_1163-19-5", "concept:WHHGLZMJPXIBIX-UHFFFAOYSA-N" ], "notation": "PBDE209", "prefLabel": "2,2',3,3',4,4',5,5',6,6'-decabroomdiphenylether", "semanticRelation": [ "wise:CAS_1163-19-5", "concept:WHHGLZMJPXIBIX-UHFFFAOYSA-N" ] }, { "id": "concept:WHKUVVPPKQRRBV-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "11111-13-0", "11111-14-1", "50926-55-1", "94-74-6" ], "dbo:formula": "C9H9ClO3", "dbo:inchi": "InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)", "iupacName": "2-(4-chloro-2-methylphenoxy)acetic acid", "pubchem": "7204", "dbo:smiles": "CC1=C(C=CC(=C1)Cl)OCC(=O)O", "dbp:inchikey": "WHKUVVPPKQRRBV-UHFFFAOYSA-N", "seeAlso": "compound:7204", "altLabel": [ "(4-chloor-2methylfenoxy)azijnzuur", "2-methyl-4-chloorfenoxyazijnzuur", "mcpa" ], "closeMatch": [ "wise:CAS_94-74-6", "concept:WHKUVVPPKQRRBV-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_94-74-6", "concept:WHKUVVPPKQRRBV-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_94-74-6", "concept:WHKUVVPPKQRRBV-UHFFFAOYSA-N" ], "notation": "MCPA", "prefLabel": "(2-methyl-4-chloorfenoxy)azijnzuur (mcpa)", "semanticRelation": [ "wise:CAS_94-74-6", "concept:WHKUVVPPKQRRBV-UHFFFAOYSA-N" ] }, { "id": "concept:WHPVYXDFIXRKLN-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "132405-96-0", "134206-43-2", "32534-81-9", "60348-60-9" ], "dbo:formula": "C12H5Br5O", "dbo:inchi": "InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H", "iupacName": "1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene", "pubchem": "36159", "dbo:smiles": "C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C=C2Br)Br)Br", "dbp:inchikey": "WHPVYXDFIXRKLN-UHFFFAOYSA-N", "seeAlso": "compound:36159", "altLabel": [ "2,2',4,4',5-pentabroomdifenylether", "bde 99", "pentabroomdifenylether" ], "closeMatch": [ "wise:CAS_32534-81-9", "wise:CAS_60348-60-9", "concept:WHPVYXDFIXRKLN-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_32534-81-9", "wise:CAS_60348-60-9", "concept:WHPVYXDFIXRKLN-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_32534-81-9", "wise:CAS_60348-60-9", "concept:WHPVYXDFIXRKLN-UHFFFAOYSA-N" ], "notation": "PBDE99", "prefLabel": "2,2',4,4',5-pentabroomdifenylether (bde99)", "semanticRelation": [ "wise:CAS_32534-81-9", "wise:CAS_60348-60-9", "concept:WHPVYXDFIXRKLN-UHFFFAOYSA-N" ] }, { "id": "concept:WHXSMMKQMYFTQS-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "159577-72-7", "64975-42-4", "7439-93-2" ], "dbo:formula": "Li", "dbo:inchi": "InChI=1S/Li", "iupacName": "LITHIUM", "pubchem": "3028194", "dbo:smiles": "[Li]", "dbp:inchikey": "WHXSMMKQMYFTQS-UHFFFAOYSA-N", "seeAlso": "compound:3028194", "closeMatch": [ "wise:CAS_7439-93-2", "concept:WHXSMMKQMYFTQS-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_7439-93-2", "concept:WHXSMMKQMYFTQS-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7439-93-2", "concept:WHXSMMKQMYFTQS-UHFFFAOYSA-N" ], "notation": "Li", "prefLabel": "lithium", "semanticRelation": [ "wise:CAS_7439-93-2", "concept:WHXSMMKQMYFTQS-UHFFFAOYSA-N" ] }, { "id": "concept:WIDHRBRBACOVOY-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "32598-14-4", "dbo:formula": "C12H5Cl5", "dbo:inchi": "InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H", "iupacName": "1,2,3-trichloro-4-(3,4-dichlorophenyl)benzene", "pubchem": "36188", "dbo:smiles": "C1=CC(=C(C=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "WIDHRBRBACOVOY-UHFFFAOYSA-N", "comment": "VLAR III (D3) 'dioxineachtige PCB's'", "seeAlso": "compound:36188", "altLabel": [ "2,3,3',4,4'-pentachloorbifenyl (pcb105)", "2,3,3',4,4'-pentachloorbifenyl", "pcb 105" ], "closeMatch": [ "wise:CAS_32598-14-4", "concept:WIDHRBRBACOVOY-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_32598-14-4", "concept:WIDHRBRBACOVOY-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_32598-14-4", "concept:WIDHRBRBACOVOY-UHFFFAOYSA-N" ], "notation": "PCB105", "prefLabel": "PCB 105", "semanticRelation": [ "wise:CAS_32598-14-4", "concept:WIDHRBRBACOVOY-UHFFFAOYSA-N" ] }, { "id": "concept:WJNRPILHGGKWCK-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "139-40-2", "dbo:formula": "C9H16ClN5", "dbo:inchi": "InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)", "iupacName": "6-chloro-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine", "pubchem": "4937", "dbo:smiles": "CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C", "dbp:inchikey": "WJNRPILHGGKWCK-UHFFFAOYSA-N", "seeAlso": "compound:4937", "closeMatch": [ "wise:CAS_139-40-2", "concept:WJNRPILHGGKWCK-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_139-40-2", "concept:WJNRPILHGGKWCK-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_139-40-2", "concept:WJNRPILHGGKWCK-UHFFFAOYSA-N" ], "notation": "propzne", "prefLabel": "propazine", "semanticRelation": [ "wise:CAS_139-40-2", "concept:WJNRPILHGGKWCK-UHFFFAOYSA-N" ] }, { "id": "concept:WKBPZYKAUNRMKP-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "66246-88-6", "87501-25-5" ], "dbo:formula": "C13H15Cl2N3", "dbo:inchi": "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3", "iupacName": "1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole", "pubchem": "91693", "dbo:smiles": "CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl", "dbp:inchikey": "WKBPZYKAUNRMKP-UHFFFAOYSA-N", "seeAlso": "compound:91693", "altLabel": "penconazool", "closeMatch": [ "wise:CAS_66246-88-6", "concept:WKBPZYKAUNRMKP-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_66246-88-6", "concept:WKBPZYKAUNRMKP-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_66246-88-6", "concept:WKBPZYKAUNRMKP-UHFFFAOYSA-N" ], "notation": "pencnzl", "prefLabel": "penconazole", "semanticRelation": [ "wise:CAS_66246-88-6", "concept:WKBPZYKAUNRMKP-UHFFFAOYSA-N" ] }, { "id": "concept:WLFDQEVORAMCIM-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "3060-89-7", "dbo:formula": "C9H11BrN2O2", "dbo:inchi": "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)", "iupacName": "3-(4-Bromophenyl)-1-methoxy-1-methylurea", "pubchem": "18290", "dbo:smiles": "CN(C(=O)NC1=CC=C(C=C1)Br)OC", "dbp:inchikey": "WLFDQEVORAMCIM-UHFFFAOYSA-N", "seeAlso": "compound:18290", "closeMatch": [ "wise:CAS_3060-89-7", "concept:WLFDQEVORAMCIM-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_3060-89-7", "concept:WLFDQEVORAMCIM-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_3060-89-7", "concept:WLFDQEVORAMCIM-UHFFFAOYSA-N" ], "notation": "metbmrn", "prefLabel": "metobromuron", "semanticRelation": [ "wise:CAS_3060-89-7", "concept:WLFDQEVORAMCIM-UHFFFAOYSA-N" ] }, { "id": "concept:WLZRMCYVCSSEQC-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "22537-48-0", "7440-43-9" ], "dbo:formula": "Cd+2", "dbo:inchi": "InChI=1S/Cd/q+2", "iupacName": "cadmium(+2) cation", "pubchem": "31193", "dbo:smiles": "[Cd+2]", "dbp:inchikey": "WLZRMCYVCSSEQC-UHFFFAOYSA-N", "comment": [ "VLAR Bijl. 2.5.2 en bijl. 2.5.8.1. 'cadmium'", "VLAR II (D2) 'cadmium'", "VLAR II (D5) 'cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)'", "VLAR II bijl. 4.4.2 'cadmium en zijn verbindingen, uitgedrukt in Cd'", "VLAR III (D3) 'cadmium en de verbindingen daarvan, uitgedrukt als cadmium (Cd)", "VLAR III (D3) 'cadmium en zijn verbindingen, uitgedrukt in Cd'", "VLAR III (D3, diverse art) 'Cd'" ], "seeAlso": "compound:31193", "altLabel": "Cadmium (Cd)", "closeMatch": [ "wise:CAS_7440-43-9", "concept:WLZRMCYVCSSEQC-UHFFFAOYSA-N" ], "definition": "cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)", "exactMatch": [ "wise:CAS_7440-43-9", "concept:WLZRMCYVCSSEQC-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7440-43-9", "concept:WLZRMCYVCSSEQC-UHFFFAOYSA-N" ], "notation": "Cd", "note": "cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)", "prefLabel": "cadmium", "semanticRelation": [ "wise:CAS_7440-43-9", "concept:WLZRMCYVCSSEQC-UHFFFAOYSA-N" ] }, { "id": "concept:WNTGYJSOUMFZEP-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "7085-19-0", "93-65-2" ], "dbo:formula": "C10H11ClO3", "dbo:inchi": "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)", "iupacName": "2-(4-Chloro-2-methylphenoxy)propanoic acid", "pubchem": "7153", "dbo:smiles": "CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O", "dbp:inchikey": "WNTGYJSOUMFZEP-UHFFFAOYSA-N", "seeAlso": "compound:7153", "altLabel": "mecoprop (mcpp)", "closeMatch": [ "wise:CAS_7085-19-0", "concept:WNTGYJSOUMFZEP-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_7085-19-0", "concept:WNTGYJSOUMFZEP-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7085-19-0", "concept:WNTGYJSOUMFZEP-UHFFFAOYSA-N" ], "notation": "MCPP", "prefLabel": "mecoprop", "semanticRelation": [ "wise:CAS_7085-19-0", "concept:WNTGYJSOUMFZEP-UHFFFAOYSA-N" ] }, { "id": "concept:WRPIRSINYZBGPK-UHFFFAOYSA-N", "type": [ 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"concept:XGYLSRFSXKAYCR-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_615-65-6", "concept:XGYLSRFSXKAYCR-UHFFFAOYSA-N" ], "notation": "2Cl4C1yAn", "prefLabel": "2-chloor-4-methylaniline", "semanticRelation": [ "wise:CAS_615-65-6", "concept:XGYLSRFSXKAYCR-UHFFFAOYSA-N" ] }, { "id": "concept:XKEFYDZQGKAQCN-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "108-70-3", "63697-19-8" ], "dbo:formula": "C6H3Cl3", "dbo:inchi": "InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H", "iupacName": "1,3,5-Trichlorobenzene", "pubchem": "7950", "dbo:smiles": "C1=C(C=C(C=C1Cl)Cl)Cl", "dbp:inchikey": "XKEFYDZQGKAQCN-UHFFFAOYSA-N", "seeAlso": "compound:7950", "closeMatch": [ "wise:CAS_108-70-3", "concept:XKEFYDZQGKAQCN-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_108-70-3", "concept:XKEFYDZQGKAQCN-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_108-70-3", "concept:XKEFYDZQGKAQCN-UHFFFAOYSA-N" ], "notation": "135TClBen", "prefLabel": "1,3,5-trichloorbenzeen", "semanticRelation": [ "wise:CAS_108-70-3", "concept:XKEFYDZQGKAQCN-UHFFFAOYSA-N" ] }, { "id": "concept:XKJMBINCVNINCA-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "330-55-2", "56645-87-5" ], "dbo:formula": "C9H10Cl2N2O2", "dbo:inchi": "InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)", "iupacName": "3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea", "pubchem": "9502", "dbo:smiles": "CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC", "dbp:inchikey": "XKJMBINCVNINCA-UHFFFAOYSA-N", "seeAlso": "compound:9502", "closeMatch": [ "wise:CAS_330-55-2", "concept:XKJMBINCVNINCA-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_330-55-2", "concept:XKJMBINCVNINCA-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_330-55-2", "concept:XKJMBINCVNINCA-UHFFFAOYSA-N" ], "notation": "linrn", "prefLabel": "linuron", "semanticRelation": [ "wise:CAS_330-55-2", "concept:XKJMBINCVNINCA-UHFFFAOYSA-N" ] }, { "id": "concept:XLNZEKHULJKQBA-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "13071-79-9", "dbo:formula": "C9H21O2PS3", "dbo:inchi": "InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3", "iupacName": "tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane", "pubchem": "25670", "dbo:smiles": "CCOP(=S)(OCC)SCSC(C)(C)C", "dbp:inchikey": "XLNZEKHULJKQBA-UHFFFAOYSA-N", "seeAlso": "compound:25670", "closeMatch": [ "wise:CAS_13071-79-9", "concept:XLNZEKHULJKQBA-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_13071-79-9", "concept:XLNZEKHULJKQBA-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_13071-79-9", "concept:XLNZEKHULJKQBA-UHFFFAOYSA-N" ], "notation": "terbfs", "prefLabel": "terbufos", "semanticRelation": [ "wise:CAS_13071-79-9", "concept:XLNZEKHULJKQBA-UHFFFAOYSA-N" ] }, { "id": "concept:XMTQQYYKAHVGBJ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "102962-29-8", "127641-75-2", "150825-44-8", "201749-62-4", "330-54-1", "56449-18-4" ], "dbo:formula": "C9H10Cl2N2O", "dbo:inchi": "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)", "iupacName": "3-(3,4-Dichlorophenyl)-1,1-dimethylurea", "pubchem": "3120", "dbo:smiles": "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl", "dbp:inchikey": "XMTQQYYKAHVGBJ-UHFFFAOYSA-N", "seeAlso": "compound:3120", "closeMatch": [ "wise:CAS_330-54-1", "concept:XMTQQYYKAHVGBJ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_330-54-1", "concept:XMTQQYYKAHVGBJ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_330-54-1", "concept:XMTQQYYKAHVGBJ-UHFFFAOYSA-N" ], "notation": "Durn", "prefLabel": "diuron", "semanticRelation": [ "wise:CAS_330-54-1", "concept:XMTQQYYKAHVGBJ-UHFFFAOYSA-N" ] }, { "id": "concept:XSTXAVWGXDQKEL-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "52037-46-4", "79-01-6" ], "dbo:formula": "C2HCl3", "dbo:inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H", "iupacName": "1,1,2-trichloroethene", "pubchem": "6575", "dbo:smiles": "C(=C(Cl)Cl)Cl", "dbp:inchikey": "XSTXAVWGXDQKEL-UHFFFAOYSA-N", "comment": [ "VLAR II bijl. 4.4.2", "VLAR II Art. 5.4.3.1.4" ], "seeAlso": "compound:6575", "altLabel": [ "trichlooretheen (tri)", "trichlooretheen", "trichloorethyleen (tri)" ], "closeMatch": [ "wise:CAS_79-01-6", "concept:XSTXAVWGXDQKEL-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_79-01-6", "concept:XSTXAVWGXDQKEL-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_79-01-6", "concept:XSTXAVWGXDQKEL-UHFFFAOYSA-N" ], "notation": "TClC2e", "prefLabel": "trichloorethyleen", "semanticRelation": [ "wise:CAS_79-01-6", "concept:XSTXAVWGXDQKEL-UHFFFAOYSA-N" ] }, { "id": "concept:XTAHLACQOVXINQ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "60851-34-5", "dbo:formula": "C12H2Cl6O", "dbo:inchi": "InChI=1S/C12H2Cl6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H", "iupacName": "2,3,4,6,7,8-HEXACHLORODIBENZOFURAN", "pubchem": "43495", "dbo:smiles": "C1=C2C3=CC(=C(C(=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "XTAHLACQOVXINQ-UHFFFAOYSA-N", "comment": [ "VLAR II+ bijlagen", "VLAR III (D3, diverse art) 'dioxinen en furanen'" ], "seeAlso": "compound:43495", "altLabel": [ "2,3,4,6,7,8-hexachloordibenzofuraan (hxcdf)", "2,3,4,6,7,8-hexachloordibenzofuraan", "2,3,4,6,7,8-hexachloordibenzofuran" ], "closeMatch": [ "wise:CAS_60851-34-5", "concept:XTAHLACQOVXINQ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_60851-34-5", "concept:XTAHLACQOVXINQ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_60851-34-5", "concept:XTAHLACQOVXINQ-UHFFFAOYSA-N" ], "notation": "PCDF130", "prefLabel": " 2,3,4,6,7,8-hexachloordibenzofuraan", "semanticRelation": [ "wise:CAS_60851-34-5", "concept:XTAHLACQOVXINQ-UHFFFAOYSA-N" ] }, { "id": "concept:XTEGARKTQYYJKE-UHFFFAOYSA-M", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "13932-10-0", "14866-68-3" ], "dbo:formula": "ClO3-", "dbo:inchi": "InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1", "iupacName": "Chlorate", "pubchem": "104770", "dbo:smiles": "[O-]Cl(=O)=O", "dbp:inchikey": "XTEGARKTQYYJKE-UHFFFAOYSA-M", "seeAlso": "compound:104770", "altLabel": "chloortrioxide", "closeMatch": [ "wise:CAS_14866-68-3", "concept:XTEGARKTQYYJKE-UHFFFAOYSA-M" ], "exactMatch": [ "wise:CAS_14866-68-3", "concept:XTEGARKTQYYJKE-UHFFFAOYSA-M" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_14866-68-3", "concept:XTEGARKTQYYJKE-UHFFFAOYSA-M" ], "notation": [ "ClO3", "ClTO" ], "prefLabel": "chloraat", "semanticRelation": [ "wise:CAS_14866-68-3", "concept:XTEGARKTQYYJKE-UHFFFAOYSA-M" ] }, { "id": "concept:XUAWBXBYHDRROL-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "39635-31-9", "dbo:formula": "C12H3Cl7", "dbo:inchi": "InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H", "iupacName": "1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene", "pubchem": "38306", "dbo:smiles": "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl", "dbp:inchikey": "XUAWBXBYHDRROL-UHFFFAOYSA-N", "comment": "VLAR III (D3) 'dioxineachtige PCB's'", "seeAlso": "compound:38306", "altLabel": [ "2,3,3',4,4',5,5'-heptachloorbifenyl (pcb189)", "PCB 189", "pcb 189" ], "closeMatch": [ "wise:CAS_39635-31-9", "concept:XUAWBXBYHDRROL-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_39635-31-9", "concept:XUAWBXBYHDRROL-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_39635-31-9", "concept:XUAWBXBYHDRROL-UHFFFAOYSA-N" ], "notation": "PCB189", "prefLabel": "2,3,3',4,4',5,5 '-heptachlorobifenyl", "semanticRelation": [ "wise:CAS_39635-31-9", "concept:XUAWBXBYHDRROL-UHFFFAOYSA-N" ] }, { "id": "concept:XUIMIQQOPSSXEZ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "152284-21-4", "157383-37-4", "160371-18-6", "17375-03-0", "71536-23-7", "72516-01-9", "72516-02-0", "72516-03-1", "7440-21-3", "7803-62-5", "90337-93-2" ], "dbo:formula": "Si", "dbo:inchi": "InChI=1S/Si", "iupacName": "Silicon", "pubchem": "5461123", "dbo:smiles": "[Si]", "dbp:inchikey": "XUIMIQQOPSSXEZ-UHFFFAOYSA-N", "seeAlso": "compound:5461123", "closeMatch": [ "wise:CAS_7440-21-3", "concept:XUIMIQQOPSSXEZ-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_7440-21-3", "concept:XUIMIQQOPSSXEZ-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_7440-21-3", "concept:XUIMIQQOPSSXEZ-UHFFFAOYSA-N" ], "notation": "Si", "prefLabel": "silicium", "semanticRelation": [ "wise:CAS_7440-21-3", "concept:XUIMIQQOPSSXEZ-UHFFFAOYSA-N" ] }, { "id": "concept:XYBSIYMGXVUVGY-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "5436-43-1", "dbo:formula": "C12H6Br4O", "dbo:inchi": "InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H", "iupacName": "2,4-dibromo-1-(2,4-dibromophenoxy)benzene", "pubchem": "95170", "dbo:smiles": "C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br", "dbp:inchikey": "XYBSIYMGXVUVGY-UHFFFAOYSA-N", "seeAlso": "compound:95170", "altLabel": [ "2,2',4,4'-tetrabroomdifenylether", "bde 47" ], "closeMatch": [ "wise:CAS_5436-43-1", "concept:XYBSIYMGXVUVGY-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_5436-43-1", "concept:XYBSIYMGXVUVGY-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_5436-43-1", "concept:XYBSIYMGXVUVGY-UHFFFAOYSA-N" ], "notation": "PBDE47", "prefLabel": "2,2',4,4'-tetrabroomdifenylether (bde47)", "semanticRelation": [ "wise:CAS_5436-43-1", "concept:XYBSIYMGXVUVGY-UHFFFAOYSA-N" ] }, { "id": "concept:YACLQRRMGMJLJV-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": [ "126-99-8", "184963-09-5" ], "dbo:formula": "C4H5Cl", "dbo:inchi": "InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2", "iupacName": "2-Chlorobuta-1,3-diene", "pubchem": "31369", "dbo:smiles": "C=CC(=C)Cl", "dbp:inchikey": "YACLQRRMGMJLJV-UHFFFAOYSA-N", "seeAlso": "compound:31369", "altLabel": "2-chloor-1,3-butadieen", "closeMatch": [ "wise:CAS_126-99-8", "concept:YACLQRRMGMJLJV-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_126-99-8", "concept:YACLQRRMGMJLJV-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_126-99-8", "concept:YACLQRRMGMJLJV-UHFFFAOYSA-N" ], "notation": "Clpn", "prefLabel": "chloropreen", "semanticRelation": [ "wise:CAS_126-99-8", "concept:YACLQRRMGMJLJV-UHFFFAOYSA-N" ] }, { "id": "concept:YAHNWSSFXMVPOU-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "65510-44-3", "dbo:formula": "C12H5Cl5", "dbo:inchi": "InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H", "iupacName": "1,2,3-trichloro-5-(2,4-dichlorophenyl)benzene", "pubchem": "47650", "dbo:smiles": "C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl", "dbp:inchikey": "YAHNWSSFXMVPOU-UHFFFAOYSA-N", "comment": "VLAR III (D3) 'dioxineachtige PCB's'", "seeAlso": "compound:47650", "altLabel": [ "2',3,4,4',5-pentachloorbifenyl (pcb123)", "2,3',4,4',5'-pentachloorbifenyl", "pcb 123" ], "closeMatch": [ "wise:CAS_65510-44-3", "concept:YAHNWSSFXMVPOU-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_65510-44-3", "concept:YAHNWSSFXMVPOU-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_65510-44-3", 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"conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_5466-77-3", "concept:YBGZDTIWKVFICR-JLHYYAGUSA-N" ], "notation": "2C2yC6y4C1ox", "prefLabel": "octinoxaat", "semanticRelation": [ "wise:CAS_5466-77-3", "concept:YBGZDTIWKVFICR-JLHYYAGUSA-N" ] }, { "id": "concept:YCLUIPQDHHPDJJ-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "57653-85-7", "dbo:formula": "C12H2Cl6O2", "dbo:inchi": "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H", "iupacName": "1,2,3,6,7,8-hexachlorooxanthrene", "pubchem": "42540", "dbo:smiles": "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=CC(=C(C(=C3O2)Cl)Cl)Cl", "dbp:inchikey": "YCLUIPQDHHPDJJ-UHFFFAOYSA-N", "comment": [ "VLAR II+ bijlagen", "VLAR III (D3, diverse art) 'dioxinen en furanen'" ], "seeAlso": "compound:42540", "altLabel": [ " 1,2,3,6,7,8-hexachloordibenzodioxine", "1,2,3,6,7,8-hexachloordibenzo-para-dioxine", "1,2,3,6,7,8-hexachloordibenzodioxine (hxcdd)", 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"concept:YFBPRJGDJKVWAH-UHFFFAOYSA-N" ], "inScheme": "conceptscheme:chemische_stof", "mappingRelation": [ "wise:CAS_2032-65-7", "concept:YFBPRJGDJKVWAH-UHFFFAOYSA-N" ], "notation": "metocb", "prefLabel": "methiocarb", "semanticRelation": [ "wise:CAS_2032-65-7", "concept:YFBPRJGDJKVWAH-UHFFFAOYSA-N" ] }, { "id": "concept:YFGYUFNIOHWBOB-UHFFFAOYSA-N", "type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "dbo:Drug" ], "casNumber": "23103-98-2", "dbo:formula": "C11H18N4O2", "dbo:inchi": "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3", "iupacName": "(2-dimethylamino-5,6-dimethylpyrimidin-4-yl) N,N-dimethylcarbamate", "pubchem": "31645", "dbo:smiles": "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C", "dbp:inchikey": "YFGYUFNIOHWBOB-UHFFFAOYSA-N", "seeAlso": "compound:31645", "closeMatch": [ "wise:CAS_23103-98-2", "concept:YFGYUFNIOHWBOB-UHFFFAOYSA-N" ], "exactMatch": [ "wise:CAS_23103-98-2", "concept:YFGYUFNIOHWBOB-UHFFFAOYSA-N" ], "inScheme": 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"id": "conceptscheme:chemische_stof", "type": "skos:ConceptScheme", "belongsTo": "omg_dataset:codelijst-chemische_stof", "definition": "Een stof is in de scheikunde een vorm van materie die een gelijke chemische samenstelling heeft, een chemisch zuivere stof. 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