2,2',4,5,5'-Pentachlorobiphenyl
Synonyms: 2,2',4,5,5'-pentachlorobiphenyl, "PCB 101", "2,4,5,2',5'-Pentachlorobiphenyl", "1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene", "2,2',4,5,5'Pentachlorobiphenyl", "PCB 101 (2,2',4,5,5'-Pentachlorobiphenyl)", "PCB-101", "PCB No 101 solution", "2,2',4,5,5'-pentachloro(13c12)biphenyl", "PCB No 101", "PCB No. 101"
Source: 2,2',4,5,5'-pentachlorobiphenyl 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-trichloro-5-(2,5-dichlorophenyl)benzene
CAS Number: 37680-73-2
PubChem ID: 37807
InChiKey: LAHWLEDBADHJGA-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl
Structural Properties:
Molecular Formula: C12H5Cl5
Molecular Weight: 326,400
Pharmacophore Features:
Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 17
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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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