2,2',3,5,5',6-hexachlorobiphenyl

Synonyms: "PCB No 151", "2,3,5,6,2',5'-hexachlorobiphenyl", "PCB-151", "1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene", "PCB 151", "2,2',3,5,5',6-HCBP", "PCB No. 151", "PCB No 151", "2,2',3,5,5',6-Hexachloro-1,1'-biphenyl".

Source: 2,2',3,5,5',6-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: 1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene
CAS Number: 52663-63-5
PubChem ID: 40471
InChiKey: UHCLFIWDCYOTOL-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C12H4Cl6
Molecular Weight: 360.864

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 18

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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.

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