Synonyms: "2,2',3',4,4',5-hexachlorobiphenyl", "PCB 138"

Source: 2,2',3,4,4',5'-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.


IUPAC Name: 1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene
CAS Number: 35065-28-2
PubChem ID: 37035
Canonical SMILES: C1=CC(=C(C(=C1C2=CC(=C(C=C2Cl)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


2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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

Bonefeld-Jorgensen EC, Andersen HR, Rasmussen TH, Vinggaard AM. 2001. Effect of highly bioaccumulated polychlorinated biphenyl congeners on estrogen and androgen receptor activity. Toxicology 158(3):141-153.
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.

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