2,3',4,4',5-Pentachlorobiphenyl

Synonyms: "2,3',4,4',5-pentachlorobiphenyl", "PCB 118", "3,4,2',4',5'-Pentachlorobiphenyl", "1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene", "PCB 118 (2,3',4,4',5-pentachlorobiphenyl)", "PCB-118", "2,4,5,3',4'-Pentachlorobiphenyl"

Source: 2,3',4,4',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-(3,4-dichlorophenyl)benzene
CAS Number: 31508-00-6
PubChem ID: 35823
InChiKey: IUTPYMGCWINGEY-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)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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