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

Synonyms: 2,2',4,4',5,5'-Hexachlorobiphenyl, "PCB 153", "HCBP", "2,4,5,2',4',5'-Hexachlorobiphenyl", "2,2',4,4',5,5'-Hexachloro-1,1'-biphenyl", "2,2',4,4'5,5'-Hexachlorobiphenyl", "PCB153", "2,2',4,4',5,5'-Hexachloro-1,1'biphenyl", "1,2,4-trichloro-5-(2,4,5-trichlorophenyl)benzene"

Source: 2,2',4,4',5,5'-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: 1,2,4-trichloro-5-(2,4,5-trichlorophenyl)benzene
CAS Number: 35065-27-1
PubChem ID: 37034
InChiKey: MVWHGTYKUMDIHL-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)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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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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