2,2'-dichlorobiphenyl

Synonyms: "o,o'-dichlorobiphenyl", "2,2'-dichlorodiphenyl", "PCB 4", "1-chloro-2-(2-chlorophenyl)benzene", , "2,2'-dichloro-1,1'-biphenyl","PCB No 4", "ballschmiter no 4", "bz no 4", "PCB No. 4".

Source: 2,2'-dichlorobiphenyl 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-chloro-2-(2-chlorophenyl)benzene
CAS Number: 13029-08-8
PubChem ID: 25622
InChiKey: JAYCNKDKIKZTAF-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₈Cl₂
Molecular Weight: 223.096

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 14

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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

Pessah, I. N., L. G. Hansen, T. E. Albertson, C. E. Garner, T. A. Ta, Z. Do, K. H. Kim and P. W. Wong (2006). "Structure-activity relationship for noncoplanar polychlorinated biphenyl congeners toward the ryanodine receptor-Ca2+ channel complex type 1 (RyR1)." Chem Res Toxicol 19(1): 92-101. DOI: 10.1021/tx050196m. URL: http://pubs.acs.org/doi/abs/10.1021/tx050196m.