2,2',3,3',4,4',5-heptachlorobiphenyl

Synonyms: "PCB 170", "2,2',3,3',4,4',5-heptachloro-1,1'-biphenyl", "PCB-170", "1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenyl)benzene", "PCB 170", "PCB No 170", "PCB No. 170".

Source: 2,2',3,3',4,4',5-heptachlorobiphenyl 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-(2,3,4-trichlorophenyl)benzene
CAS Number: 35065-30-6
PubChem ID: 37037
InChiKey: RMPWIIKNWPVWNG-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₃Cl₇
Molecular Weight: 395.306

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 19

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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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.