Cas no 31366-97-9 ([1,1'-Biphenyl]-4-ol,3-chloro-, sodium salt (1:1))

[1,1'-Biphenyl]-4-ol,3-chloro-, sodium salt (1:1) structure
31366-97-9 structure
Product Name:[1,1'-Biphenyl]-4-ol,3-chloro-, sodium salt (1:1)
CAS No:31366-97-9
MF:C12H8ClNaO
MW:226.634093284607
CID:314812
PubChem ID:23705733
Update Time:2025-04-19

[1,1'-Biphenyl]-4-ol,3-chloro-, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-ol,3-chloro-, sodium salt (1:1)
    • SODIUM 2-CHLORO-4-PHENYLPHENATE
    • sodium,2-chloro-4-phenylphenolate
    • Sodium 2-chloro-4-phenylphenolate
    • 3HNV61OUA1
    • 4-Biphenylol, 3-chloro-, sodium salt
    • (1,1'-Biphenyl)-4-ol, 3-chloro-, sodium salt
    • 31366-97-9
    • SCHEMBL5933701
    • Q27257223
    • Phenol, 2-chloro-4-phenyl-, sodium deriv.
    • UNII-3HNV61OUA1
    • 2-Chloro-4-phenylphenol sodium salt
    • Inchi: 1S/C12H9ClO.Na/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9;/h1-8,14H;/q;+1/p-1
    • InChI Key: ARCOPJIXLBWKLT-UHFFFAOYSA-M
    • SMILES: ClC1=C(C=CC(=C1)C1C=CC=CC=1)[O-].[Na+]

Computed Properties

  • Exact Mass: 226.01624
  • Monoisotopic Mass: 226.016137
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 183
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 23.1

Experimental Properties

  • Boiling Point: 317.4°C at 760 mmHg
  • Flash Point: 145.8°C
  • PSA: 23.06
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