2,2',3,3',4,4'-hexachlorobiphenyl

Synonyms: "2,3,4,2',3',4'-hexachlorobiphenyl", "AROCLOR 1260", "PCB-128", "PCB 128"

Source: 2,2',3,3',4,4'-hexachlorobiphenyl 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-trichloro-4-(2,3,4-trichlorophenyl)benzene
CAS Number: 38380-07-3
PubChem ID: 38018
InChiKey: BTAGRXWGMYTPBY-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)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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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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

Portigal CL, Cowell SP, Fedoruk MN, Butler CM, Rennie PS, Nelson CC. 2002. Polychlorinated biphenyls interfere with androgen-induced transcriptional activation and hormone binding. Toxicol Appl Pharmacol 179(3):185-194.