CHEBI:81516 - 3,4,4',5-Tetrachlorobiphenyl

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ChEBI Name 3,4,4',5-Tetrachlorobiphenyl
ChEBI ID CHEBI:81516
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H6Cl4
Net Charge 0
Average Mass 291.98800
Monoisotopic Mass 289.92236
InChI InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H
InChIKey BHWVLZJTVIYLIV-UHFFFAOYSA-N
SMILES Clc1ccc(cc1)-c1cc(Cl)c(Cl)c(Cl)c1
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 3,4,4',5-Tetrachlorobiphenyl (CHEBI:81516) is a biphenyls (CHEBI:22888)
3,4,4',5-Tetrachlorobiphenyl (CHEBI:81516) is a monochlorobenzenes (CHEBI:83403)
3,4,4',5-Tetrachlorobiphenyl (CHEBI:81516) is a tetrachlorobiphenyl (CHEBI:36720)
3,4,4',5-Tetrachlorobiphenyl (CHEBI:81516) is a trichlorobenzene (CHEBI:27096)
Synonym Source
PCB 81 KEGG COMPOUND
Manual Xref Database
C18114 KEGG COMPOUND
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Registry Number Type Source
70362-50-4 CAS Registry Number KEGG COMPOUND
Last Modified
18 May 2015