2,2',3,4,4',5,5'-Heptachlorobiphenyl
Synonyms: PCB 180, "2,2',3,4,4',5,5'-Heptachloro-1,1'-biphenyl", "1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene", "2,2',3,4,4',5,5'-Heptachlorobiphenyl", "PCB-180", "PCB No 180", "PCB No. 180"
Source: 2,2',3,4,4',5,5'-heptachlorobiphenyl is a persistent and accumulating polychlorinated biphenyl abundantly present in food and the environment.
Identifiers:
IUPAC Name: 1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene
CAS Number: 35065-29-3
PubChem ID: 37036
InChiKey: WBHQEUPUMONIKF-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl
Structural Properties:
Molecular Formula: C12H3Cl7
Molecular Weight: 395,300
Pharmacophore Features:
Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 19
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3D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant
Mailler, R., Gasperi, J., Patureau, D., Vulliet, E., Delgenes, N., Danel, A., ... & Chebbo, G. (2017). Fate of emerging and priority micropollutants during the sewage sludge treatment: Case study of Paris conurbation. Part 1: Contamination of the different types of sewage sludge. Waste management, 59, 379-393.
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