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CHEBI:34197 - 2,2',3,3',5,5'-hexachlorobiphenyl

ChEBI IDCHEBI:34197
ChEBI Name2,2',3,3',5,5'-hexachlorobiphenyl
Stars
DefinitionA hexachlorobiphenyl that is biphenyl in which the hydrogens at the 2, 3, and 5 positions of each of the benzene rings are replaced by chlorines.
Last Modified22 October 2014
DownloadsMolfile
FormulaC12H4Cl6
Net Charge0
Average Mass360.882
Monoisotopic Mass357.84442
SMILESClc1cc(Cl)c(Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1
InChIInChI=1S/C12H4Cl6/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4H
InChIKeyAJKLKINFZLWHQE-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
persistent organic pollutant  Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains.
persistent organic pollutant  Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains.
persistent organic pollutant  Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains.
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
2,2',3,3',5,5'-hexachlorobiphenyl (CHEBI:34197) is a hexachlorobiphenyl (CHEBI:36722)
2,2',3,3',5,5'-hexachlorobiphenyl (CHEBI:34197) is a trichlorobenzene (CHEBI:27096)
IUPAC Name 
2,2',3,3',5,5'-hexachloro-1,1'-biphenyl
Synonyms  Source
2,2',3,3',5,5'-HexachlorobiphenylKEGG COMPOUND
2,3,5,2',3',5'-HexachlorobiphenylChemIDplus
1,1'-Biphenyl, 2,2',3,3',5,5'-Hexachloro-NIST Chemistry WebBook
PCB 133KEGG COMPOUND
Manual XrefsDatabases
C14367KEGG COMPOUND
Registry NumbersSources
Beilstein:2288106Beilstein
CAS:35694-04-3KEGG COMPOUND
CAS:35694-04-3ChemIDplus
CAS:35694-04-3NIST Chemistry WebBook