2,2',3,5'-Tetrachlorobiphenyl

Synonyms: PCB 44, "PCB No 44", "2,2',3,5'-Tetrachloro-1,1'-biphenyl", "1,2-Dichloro-3-(2,5-dichlorophenyl)benzene", "PCB 44 (2,2',3,5'-Tetrachlorobiphenyl)", "2,3,2',5'-Tetrachlorobiphenyl"

Source: 2,2',3,5'-Tetrachlorobiphenyl 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-dichloro-3-(2,5-dichlorophenyl)benzene
CAS Number: 41464-39-5
PubChem ID: 38875
InChiKey: ALDJIKXAHSDLLB-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=CC(=C2)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₆Cl₄
Molecular Weight: 292,000

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 16

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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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2D-structure

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