2,3,3',4,4'-Pentachlorobiphenyl

Synonyms: 2,3,3',4,4'-Pentachlorobiphenyl, "PCB 105", "2,3,4,3',4'-Pentachlorobiphenyl", "3,4,2',3',4'-Pentachlorobiphenyl", "1,2,3-trichloro-4-(3,4-dichlorophenyl)benzene", "BRN 2283442", "PCB No 105", "2,3,3'4,4'-Pentachloro-1,1'-biphenyl", "PCB-105"

Source: 2,3,3',4,4'-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: 1,2,3-trichloro-4-(3,4-dichlorophenyl)benzene
CAS Number: 32598-14-4
PubChem ID: 36188
InChiKey: WIDHRBRBACOVOY-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=C(C=C2)Cl)Cl)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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