2,2',3,4,4',5,5'-heptachlorobiphenyl

Synonyms: "2,2',3,4,4',5,5'-heptachloro-1,1'-biphenyl", "PCB 180"

Source: 2,2',3,4,4',5,5'-heptachlorobiphenyl is a persistent and accumulating polychlorinated biphenyl abundantly present in food and the environment.

Identifiers:

IUPAC Name: 1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene
CAS Number: 35065-29-3
PubChem ID: 37036
InChiKey: WBHQEUPUMONIKF-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₃Cl₇
Molecular Weight: 395.323

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 19

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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

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.