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

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ChEBI Name 2,2',3,3',5,5'-hexachlorobiphenyl
ChEBI ID CHEBI:34197
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H4Cl6
Net Charge 0
Average Mass 360.87636
Monoisotopic Mass 357.84442
InChI InChI=1S/C12H4Cl6/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4H
InChIKey AJKLKINFZLWHQE-UHFFFAOYSA-N
SMILES Clc1cc(Cl)c(Cl)c(c1)-c1cc(Cl)cc(Cl)c1Cl
Roles Classification
Chemical Role(s): 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.
(via polychlorobiphenyl )
(via polychlorinated dibenzodioxines and related compounds )
Application(s): endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via polychlorobiphenyl )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,1'-Biphenyl, 2,2',3,3',5,5'-Hexachloro- NIST Chemistry WebBook
2,2',3,3',5,5'-Hexachlorobiphenyl KEGG COMPOUND
2,3,5,2',3',5'-Hexachlorobiphenyl ChemIDplus
PCB 133 KEGG COMPOUND
Manual Xref Database
C14367 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
2288106 Beilstein Registry Number Beilstein
35694-04-3 CAS Registry Number ChemIDplus
35694-04-3 CAS Registry Number NIST Chemistry WebBook
Last Modified
22 October 2014