2,2',5,5'-Tetrachlorobiphenyl

Synonyms: PCB 52, "2,5,2',5'-Tetrachlorobiphenyl", "TCBP", "2,2',5,5'-TCB", "2,3',5,6'-Tetrachlorobiphenyl", "PCB-52", "2,2',5,5'-Tetrachloro-1,1'-biphenyl", "PCB No 52", "1,4-dichloro-2-(2,5-dichlorophenyl)benzene", "PCB No. 52"

Source: 2,2',5,5'-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: 1,4-dichloro-2-(2,5-dichlorophenyl)benzene
CAS Number: 35693-99-3
PubChem ID: 37248
InChiKey: HCWZEPKLWVAEOV-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)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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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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