Cas no 88966-74-9 (2',3',4',5'-tetrachlorobiphenyl-4-carbonitrile)

2',3',4',5'-tetrachlorobiphenyl-4-carbonitrile structure
88966-74-9 structure
Product Name:2',3',4',5'-tetrachlorobiphenyl-4-carbonitrile
CAS No:88966-74-9
MF:C13H5Cl4N
MW:316.997499227524
CID:1935443
PubChem ID:184914
Update Time:2025-04-21

2',3',4',5'-tetrachlorobiphenyl-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2',3',4',5'-tetrachlorobiphenyl-4-carbonitrile
    • 4-(2,3,4,5-tetrachlorophenyl)benzonitrile
    • DTXSID20237457
    • NS00123120
    • 4'-cyano-2,3,4,5-tetrachlorobiphenyl
    • 88966-74-9
    • DTXCID20159948
    • Inchi: 1S/C13H5Cl4N/c14-10-5-9(11(15)13(17)12(10)16)8-3-1-7(6-18)2-4-8/h1-5H
    • InChI Key: LFQNZUJEPGYSSQ-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(C(=CC=1C1C=CC(C#N)=CC=1)Cl)Cl)Cl

Computed Properties

  • Exact Mass: 316.915
  • Monoisotopic Mass: 314.918
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 331
  • 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: 6.1
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • Density: 1.55
  • Boiling Point: 426.1°C at 760 mmHg
  • Flash Point: 181.1°C
  • Refractive Index: 1.658

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