3,3',4,4'-tetrachlorobiphenyl

Synonyms: "3,4,3',4'-tetrachlorobiphenyl", "PCB 77", "4-CB"

Source: 3,3',4,4'-tetrachlorobiphenyl 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-dichloro-4-(3,4-dichlorophenyl)benzene
CAS Number: 32598-13-3
PubChem ID: 36187
InChiKey: UQMGJOKDKOLIDP-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C12H6Cl4
Molecular Weight: 291,988

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 16

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Durham SK, Brouwer A. 1990. 3,4,3',4'-Tetrachlorobiphenyl distribution and induced effects in the rat adrenal gland: Localization in the zona fasciculata. Lab Invest 62(2):232-239.
Schantz SL, Seo B-W, Moshtaghian J, Amin S. 1997. Developmental exposure to polychlorinated biphenyls or dioxin: do changes in thyroid function mediate effects on spatial learning? Am Zool 37(4):399-408.
Van den Berg KJ, van Raaij JAGM, Bragt PC, Notten WRF. 1991. Interactions of halogenated industrial chemicals with transthyretin and effects on thyroid hormone levels in vivo. Arch Toxicol 65(1):15-19.
van den Berg KJ, Zurcher C, Brouwer A. 1988. Effects of 3,4,3',4'-tetrachlorobiphenyl on thyroid function and histology in marmoset monkeys. Toxicol Lett 41(1):77-86.

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