2,2',4,4',6,6'-hexachlorobiphenyl

Synonyms: "2,4,6,2',4',6'-hexachlorobiphenyl", "2,2',4,4',6,6'-Hcb", "2,2',4,4',6,6'-Hexachloro-1,1'-biphenyl"

Source: 2,2',4,4',6,6'-hexachlorobiphenyl 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: 1,3,5-trichloro-2-(2,4,6-trichlorophenyl)benzene
CAS Number: 33979-03-2
PubChem ID: 36647
InChiKey: ICOAEPDGFWLUTI-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C(C(=C1Cl)C2=C(C=C(C=C2Cl)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

Fielden MR, Chen I, Chittim B, Safe SH, Zacharewski TR. 1997. Examination of the estrogenicity of 2,4,6,2',6'-pentachlorobiphenyl (PCB 104), its hydroxylated metabolite 2,4,6,2',6'-pentachloro-4-biphenylol (HO-PCB 104), and a further chlorinated derivative, 2,4,6,2',4',6'-hexachlorobiphenyl (PCB 155). Environ Health Perspect 105(11):1238-1248.