Cas no 71411-69-3 (Benzenesulfonic acid,5-amino-2-nitro-, ammonium salt (1:1))

Benzenesulfonic acid,5-amino-2-nitro-, ammonium salt (1:1) structure
71411-69-3 structure
Product Name:Benzenesulfonic acid,5-amino-2-nitro-, ammonium salt (1:1)
CAS No:71411-69-3
MF:C6H9N3O5S
MW:235.217759847641
CID:569314
PubChem ID:117142
Update Time:2025-04-19

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

Names and Identifiers

    • Benzenesulfonic acid,5-amino-2-nitro-, ammonium salt (1:1)
    • ammonium 5-amino-2-nitrobenzenesulphonate
    • 5-amino-2-nitrobenzenesulfonic acid ammoniate (1:1)
    • DTXSID40991746
    • 5-Amino-2-nitrobenzene-1-sulfonic acid--ammonia (1/1)
    • EINECS 275-373-8
    • 71411-69-3
    • Inchi: 1S/C6H6N2O5S.H3N/c7-4-1-2-5(8(9)10)6(3-4)14(11,12)13;/h1-3H,7H2,(H,11,12,13);1H3
    • InChI Key: PYYHPWAJORDQFM-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C=CC=1[N+](=O)[O-])N)(=O)(=O)O.N

Computed Properties

  • Exact Mass: 235.02637
  • Monoisotopic Mass: 235.026
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 316
  • 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: 136?2

Experimental Properties

  • Boiling Point: 613.4°C at 760 mmHg
  • Flash Point: 324.8°C
  • PSA: 162.86
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