2,3',6-trichlorobiphenyl

Synonyms: "2,3',6-trichloro-1,1'-biphenyl", "1,3-dichloro-2-(3-chlorophenyl)benzene", "PCB 27", "PCB-27", "PCB No. 27", "PCB No 27".

Source: 2,3',6-trichlorobiphenyl 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: 1,3-dichloro-2-(3-chlorophenyl)benzene
CAS Number: 38444-76-7
PubChem ID: 38030
InChiKey: VQOFJPFYTCHPTR-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC(=C1)Cl)C2=C(C=CC=C2Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₇Cl₃
Molecular Weight: 257.538

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 15

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3D structure (.sdf)
3D structure (.mol2)
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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.