4'-phenyl-2,3,4,5-tetrachlorobiphenyl

Synonyms: "4'-phenyl-2,3,4,5-tetrachlorobiphenyl", "1,2,3,4-tetrachloro-5-(4-phenylphenyl)benzene", "2,3,4,5-tetrachloro-p-terphenyl", "2,3,4,5-tetrachloro-1,1':4',1''-terphenyl".

Source: 4'-phenyl-2,3,4,5-tetrachlorobiphenyl is a member of the polychlorinated biphenyls (PCBs), 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: 1,2,3,4-tetrachloro-5-(4-phenylphenyl)benzene
CAS Number: 88966-72-7
PubChem ID: 184913
InChiKey: FJWNIBCKNYIBRG-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(=C3Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C18H10Cl4
Molecular Weight: 368.078

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 22

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Bandiera S, Sawyer TW, Campbell MA, Fujita T, Safe S. 1983. Competitive binding to the cytosolic 2,3,7,8-tetrachlorodibenzo-p-dioxin receptor. Effects of structure on the affinities of substituted halogenated biphenyls--a QSAR analysis. Biochem Pharmacol 32(24):3803-3813. DOI: 10.1016/0006-2952(83)90153-3. URL: https://www.sciencedirect.com/science/article/pii/0006295283901533.

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