Cas no 42975-18-8 (sodium 4-(phenylazo)benzenesulphonate)

sodium 4-(phenylazo)benzenesulphonate structure
42975-18-8 structure
Product Name:sodium 4-(phenylazo)benzenesulphonate
CAS No:42975-18-8
MF:C12H9N2NaO3S
MW:284.266232252121
CID:928606
PubChem ID:23702652
Update Time:2025-04-19

sodium 4-(phenylazo)benzenesulphonate Chemical and Physical Properties

Names and Identifiers

    • sodium 4-(phenylazo)benzenesulphonate
    • sodium,4-phenyldiazenylbenzenesulfonate
    • AG-F-52525
    • CTK4I6851
    • EINECS 256-030-1
    • SODIUM 4-(PHENYLAZO)BENZENESULFONATE
    • sodium 4-[(E)-phenyldiazenyl]benzenesulfonate
    • NS00089039
    • IGAOPIACQUBHLS-UHFFFAOYSA-M
    • 42975-18-8
    • NSC 226920
    • Inchi: 1S/C12H10N2O3S.Na/c15-18(16,17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10;/h1-9H,(H,15,16,17);/q;+1/p-1/b14-13+;
    • InChI Key: IGAOPIACQUBHLS-IERUDJENSA-M
    • SMILES: S(C1C=CC(=CC=1)/N=N/C1C=CC=CC=1)(=O)(=O)[O-].[Na+]

Computed Properties

  • Exact Mass: 285.03100
  • Monoisotopic Mass: 284.023
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 380
  • 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: 90.3A^2

Experimental Properties

  • Density: 1.33
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 87.47000
  • LogP: 4.42950
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