Cas no 31017-44-4 (Benzenesulfonic acid,dodecyl-, cadmium salt (8CI,9CI))

Benzenesulfonic acid,dodecyl-, cadmium salt (8CI,9CI) structure
31017-44-4 structure
Product Name:Benzenesulfonic acid,dodecyl-, cadmium salt (8CI,9CI)
CAS No:31017-44-4
MF:C18H29CdO3S
MW:437.897067785263
CID:316480
PubChem ID:3015529
Update Time:2025-04-19

Benzenesulfonic acid,dodecyl-, cadmium salt (8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,dodecyl-, cadmium salt (8CI,9CI)
    • cadmium,dodecyl benzenesulfonate
    • benzenesulfonate, 2-dodecyl-, cadmium salt
    • Cadmium dodecylbenzenesulphonate
    • 31017-44-4
    • EINECS 250-433-6
    • Inchi: 1S/C18H30O3S.Cd/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/p-1
    • InChI Key: GJPBOMPCXOKYBJ-UHFFFAOYSA-M
    • SMILES: [Cd].S(C1C=CC=CC=1CCCCCCCCCCCC)(=O)(=O)[O-]

Computed Properties

  • Exact Mass: 432.0977
  • Monoisotopic Mass: 439.087099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 11
  • Complexity: 346
  • 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: 65.6

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 43.37
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