Cas no 83721-36-2 (Benzenesulfonic acid,2,5-dimethyl-, ammonium salt (1:1))

Benzenesulfonic acid,2,5-dimethyl-, ammonium salt (1:1) structure
83721-36-2 structure
Product Name:Benzenesulfonic acid,2,5-dimethyl-, ammonium salt (1:1)
CAS No:83721-36-2
MF:C8H13NO3S
MW:203.258721113205
CID:723895
PubChem ID:13685726
Update Time:2025-04-19

Benzenesulfonic acid,2,5-dimethyl-, ammonium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,2,5-dimethyl-, ammonium salt (1:1)
    • ammonium p-xylene-2-sulphonate
    • azanium,2,5-dimethylbenzenesulfonate
    • 83721-36-2
    • EINECS 280-566-5
    • NS00089534
    • AMMONIUM 2,5-DIMETHYLBENZENESULFONATE
    • AMMONIUM2,5-DIMETHYLBENZENESULFONATE
    • Q27274505
    • BENZENESULFONIC ACID, 2,5-DIMETHYL-, AMMONIUM SALT (1:1)
    • B8CYS38264
    • UNII-B8CYS38264
    • Inchi: 1S/C8H10O3S.H3N/c1-6-3-4-7(2)8(5-6)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);1H3
    • InChI Key: UXKXKFCNSBEHCR-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C)C=CC=1C)(=O)(=O)[O-].[NH4+]

Computed Properties

  • Exact Mass: 203.06161445g/mol
  • Monoisotopic Mass: 203.06161445g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 226
  • 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: 66.6?2

Experimental Properties

  • Boiling Point: 415.7°C at 760 mmHg
  • Flash Point: 205.2°C
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