Cas no 68194-13-8 (2,2',3,4',5,6-Hexachlorobiphenyl)

2,2',3,4',5,6-Hexachlorobiphenyl is a chlorinated biphenyl compound belonging to the polychlorinated biphenyl (PCB) family. It is characterized by its six chlorine substituents, which confer high chemical stability and resistance to degradation. This compound is primarily used in research and analytical applications, serving as a reference standard in environmental and toxicological studies due to its persistence and bioaccumulative properties. Its well-defined structure and purity make it suitable for use in chromatography and mass spectrometry for the detection and quantification of PCBs in complex matrices. Careful handling is required due to its potential toxicity and environmental impact.
2,2',3,4',5,6-Hexachlorobiphenyl structure
68194-13-8 structure
Product Name:2,2',3,4',5,6-Hexachlorobiphenyl
CAS No:68194-13-8
MF:C12H4Cl6
MW:360.878157615662
CID:503663
PubChem ID:63081
Update Time:2025-06-08

2,2',3,4',5,6-Hexachlorobiphenyl Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Biphenyl,2,2',3,4',5,6-hexachloro-
    • 2,2',3,4',5,6-Hexachlorobiphenyl
    • 1,2,4,5-tetrachloro-3-(2,4-dichlorophenyl)benzene
    • 2,2',3,4',5,6-Hexachlorobiphenyl Solution
    • 1,1'-Biphenyl, 2,2',3,4',5,6-hexachloro
    • 68194-13-8
    • 2,2',3,4',5,6-Hexachloro-1,1'-biphenyl
    • Q27252964
    • DTXCID0045676
    • NS00076991
    • DTXSID1074200
    • AQONCPKMJSBHQT-UHFFFAOYSA-N
    • PCB 147
    • SCHEMBL4459802
    • 1VX95V2408
    • 1,1'-Biphenyl, 2,2',3,4',5,6-hexachloro-
    • UNII-1VX95V2408
    • Inchi: 1S/C12H4Cl6/c13-5-1-2-6(7(14)3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H
    • InChI Key: AQONCPKMJSBHQT-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC(=C(C=1C1C=CC(=CC=1Cl)Cl)Cl)Cl)Cl

Computed Properties

  • Exact Mass: 357.84400
  • Monoisotopic Mass: 357.844
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 272
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.9
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Density: 1.5940 (rough estimate)
  • Melting Point: 115.76°C (estimate)
  • Boiling Point: 446.99°C (rough estimate)
  • Flash Point: 183.2°C
  • Refractive Index: 1.6270 (rough estimate)
  • PSA: 0.00000
  • LogP: 7.27400

2,2',3,4',5,6-Hexachlorobiphenyl Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
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