2,2',3,4',5',6-hexachlorobiphenyl

Synonyms: "2,2',3,4',5',6-hexachloro-1,1'-biphenyl", "PCB 149"

Source: 2,2',3,4',5',6-hexachlorobiphenyl is a member of the polychlorinated biphenyl (PCB), a group of industrial chemicals used as dielectrics, coolants and lubricants in electrical equipment. PCBs contaminate water by leaching from landfills or other waste deposits.

Identifiers:

IUPAC Name: 1,2,4-trichloro-3-(2,4,5-trichlorophenyl)benzene
CAS Number: 38380-04-0
PubChem ID: 38016
InChiKey: LKHLFUVHHXCNJH-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C12H4Cl6
Molecular Weight: 360.878

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 18

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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Li MH, Hsu PC, Guo YL. 2001. Hepatic enzyme induction and acute endocrine effects of 2,2 ',3,3 ',4,6 '-hexachlorobiphenyl and 2,2,3,4 ',5 ',6-hexachlorobiphenyl in prepubertal female rats. Arch Environ Contam Toxicol 41(3):381-385.

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