2,2',3,4,4',5'-Hexachlorobiphenyl

Synonyms: 2,2',3',4,4',5-Hexachlorobiphenyl, "PCB-138", "2,2,'3,4,4,'5'-Hexachlorobiphenyl","1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene", "PCB 138", "2,3,4,2',4',5'-Hexachlorobiphenyl", "PCB No 138", "PCB No. 138"

Source: 2,2',3,4,4',5'-hexachlorobiphenyl 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-(2,4,5-trichlorophenyl)benzene
CAS Number: 35065-28-2
PubChem ID: 37035
InChiKey: RPUMZMSNLZHIGZ-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₄Cl₆
Molecular Weight: 360,900

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 18

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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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