Cas no 100702-98-5 ([1,1'-Biphenyl]-4,4'-diol,2,3,5,6-tetrachloro-)

[1,1'-Biphenyl]-4,4'-diol,2,3,5,6-tetrachloro- structure
100702-98-5 structure
Product Name:[1,1'-Biphenyl]-4,4'-diol,2,3,5,6-tetrachloro-
CAS No:100702-98-5
MF:C12H6Cl4O2
MW:323.986839771271
CID:155074
PubChem ID:180912
Update Time:2025-04-19

[1,1'-Biphenyl]-4,4'-diol,2,3,5,6-tetrachloro- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4,4'-diol,2,3,5,6-tetrachloro-
    • 2,3,5,6-tetrachloro-4-(4-hydroxyphenyl)phenol
    • 2,3,5,6-Tetrachlorobiphenyl-4,4'-diol
    • SCHEMBL6273601
    • 52KVB3B95P
    • CHEBI:34223
    • tetrachlorodihydroxybiphenyl
    • 2,3,5,6-Tetrachloro[1,1'-biphenyl]-4,4'-diol
    • (1,1'-Biphenyl)-4,4'-diol, 2,3,5,6-tetrachloro-
    • 2,3,5,6-Tetrachloro-4,4'-biphenyldiol
    • 2,3,5,6-tetrachloro-1,1'-biphenyl-4,4'-diol
    • [1,1'-Biphenyl]-4,4'-diol, 2,3,5,6-tetrachloro-
    • DTXSID30143474
    • 2,3,5,6-tetrachloro-[1,1'-biphenyl]-4,4'-diol
    • PD144576
    • Q27115918
    • NS00006908
    • CHEMBL352220
    • 100702-98-5
    • Inchi： 1S/C12H6Cl4O2/c13-8-7(5-1-3-6(17)4-2-5)9(14)11(16)12(18)10(8)15/h1-4,17-18H
    • InChI Key： ZTJLKJPIKUPJIB-UHFFFAOYSA-N
    • SMILES： ClC1C(=C(C(=C(C=1C1C=CC(=CC=1)O)Cl)Cl)O)Cl

Computed Properties

  • Exact Mass: 321.91238
  • Monoisotopic Mass: 321.912
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 267
  • 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: 5.3
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Density: 1.624
  • Boiling Point: 382.5°C at 760 mmHg
  • Flash Point: 185.1°C
  • Refractive Index: 1.666
  • PSA: 40.46
  • LogP: 5.37840

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