3,4',5-trichlorobiphenyl

Synonyms: "1,3-dichloro-5-(4-chlorophenyl)benzene", "3,4',5-trichloro-1,1'-biphenyl", "PCB 39"

Source: 3,4',5-trichlorobiphenyl 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: 1,3-dichloro-5-(4-chlorophenyl)benzene
CAS Number: 38444-88-1
PubChem ID: 38038
InChiKey: SYSBNFJJSJLZMM-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C12H7Cl3
Molecular Weight: 257,543

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 15

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

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


Gierthy JF, Arcaro KF, Floyd M. 1997. Assessment of PCB estrogenicity in a human breast cancer cell line. Chemosphere 34(5-7):1495-1505.

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