2,2',3,3',4,4',5,5'-Octachlorobiphenyl

Synonyms: 2,2',3,3',4,4',5,5'-octachlorobiphenyl, "PCB 194", "2,3,4,5,2',3',4',5'-Octachlorobiphenyl", "2,2',3,3',4,4',5,5'-Octachloro-1,1'-biphenyl", "1,2,3,4-tetrachloro-5-(2,3,4,5-tetrachlorophenyl)benzene", "PCB No. 194"

Source: 2,2',3,3',4,4',5,5'-Octachlorobiphenyl 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: 1,2,3,4-tetrachloro-5-(2,3,4,5-tetrachlorophenyl)benzene
CAS Number: 35694-08-7
PubChem ID: 37251
InChiKey: DTMRKGRREZAYAP-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₂Cl₈
Molecular Weight: 429,800

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 20

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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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