3,4',5-trichlorobiphenyl

Synonyms: "1,3-dichloro-5-(4-chlorophenyl)benzene", "3,4',5-trichloro-1,1'-biphenyl", "PCB 39"

Source: 3,4',5-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: 1,3-dichloro-5-(4-chlorophenyl)benzene
CAS Number: 38444-88-1
PubChem ID: 38038
InChiKey: SYSBNFJJSJLZMM-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₇Cl₃
Molecular Weight: 257.543

Pharmacophore Features:

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

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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