2,2',3,4',5,5',6-Heptachlorobiphenyl
Synonyms: 2,2',3,4',5,5',6-Heptachloro-1,1'-biphenyl, "CIP7BRA48E", "1,2,4,5-tetrachloro-3-(2,4,5-trichlorophenyl)benzene", "PCB 187 (2,2'',3,4'',5,5'',6-Heptachlorobiphenyl)"
Source: 2,2',3,4',5,5',6-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: 1,2,4,5-tetrachloro-3-(2,4,5-trichlorophenyl)benzene
CAS Number: 52663-68-0
PubChem ID: 40475
InChiKey: UDMZPLROONOSEF-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)C2=C(C(=CC(=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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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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