2,4,4'-Trichlorobiphenyl

Synonyms: 2,4,4'-trichlorobiphenyl, "PCB28", "4,2',4'-Trichlorobiphenyl", "2,4-dichloro-1-(4-chlorophenyl)benzene", "K 28", "844ODP31Q0", "2,4,4'-Trichloro-1,1'-biphenyl", "PCB 28 (2,4,4'-trichlorobiphenyl)", "PCB-28"

Source: 2,4,4'-trichlorobiphenyl is a member of the polychlorinated biphenyl (PCB), 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: 2,4-dichloro-1-(4-chlorophenyl)benzene
CAS Number: 7012-37-5
PubChem ID: 23448
InChiKey: BZTYNSQSZHARAZ-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₇Cl₃
Molecular Weight: 257,500

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 15

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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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