2,3,3',4,4',5-hexachlorobiphenyl

Synonyms: "2,3,4,5,3',4'-Hexachlorobiphenyl", "PCB-156", "PCB 156"

Source: 2,3,3',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.

Identifiers:

IUPAC Name: 1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene
CAS Number: 38380-08-4
PubChem ID: 38019
InChiKey: LCXMEXLGMKFLQO-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C_12<H₄Cl₆
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

Krishnan V, Safe S. 1993. Polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs), and dibenzofurans (PCDFs) as antiestrogens in MCF-7 human breast cancer cells: quantitative structure-activity relationships. Toxicol Appl Pharmacol 120(1):55-61.

Van Birgelen APJM, Smit EA, Kampen IM, Groeneveld CN, Fase KM, Van der Kolk J, Poiger H, Van den Berg M, Koeman JH, Brouwer A. 1995. Subchronic effects of 2,3,7,8-TCDD or PCBs on thyroid hormone metabolism - Use in risk assessment. European Journal of Pharmacology - Environmental Toxicology & Pharmacology Section 293(1):77-85.