Cas no 4346-51-4 (Ammonium 2-amino-5-nitrobenzene-1-sulfonate)

Ammonium 2-amino-5-nitrobenzene-1-sulfonate is a versatile organic compound known for its unique combination of functionalities. It boasts a strong nucleophilic site, a nitro group for electrophilic aromatic substitution, and a sulfonic acid group for protonation. This compound is highly valued in organic synthesis due to its ability to participate in various chemical reactions, including nucleophilic aromatic substitution, nitration, and sulfonation. Its structural diversity and reactivity make it an essential intermediate in the production of pharmaceuticals, agrochemicals, and dyes.
Ammonium 2-amino-5-nitrobenzene-1-sulfonate structure
4346-51-4 structure
Product Name:Ammonium 2-amino-5-nitrobenzene-1-sulfonate
CAS No:4346-51-4
MF:C6H9N3O5S
MW:235.217759847641
MDL:MFCD28139171
CID:331006
PubChem ID:78049
Update Time:2025-08-01

Ammonium 2-amino-5-nitrobenzene-1-sulfonate Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,2-amino-5-nitro-, ammonium salt (1:1)
    • 2-amino-5-nitrobenzenesulfonic acid ammonium salt
    • 2-amino-5-nitrobenzenesulfonic acid ammoniate (1:1)
    • Ammonium 2-amino-5-nitrobenzenesulphonate
    • Benzenesulfonic acid, 2-amino-5-nitro-, ammonium salt
    • Benzenesulfonic acid, 2-amino-5-nitro-, monoammonium salt
    • p-Nitroaniline-2-sulfonic acid, ammonium salt
    • NS00081716
    • AKOS003398347
    • 2-amino-5-nitrobenzenesulfonic acid; azane
    • 4346-51-4
    • azanium;2-amino-5-nitrobenzenesulfonate
    • ammonium 2-amino-5-nitrobenzenesulfonate
    • DTXSID2063424
    • F8880-6345
    • ammonium 2-amino-5-nitrobenzene-1-sulfonate
    • W-109965
    • Ammonium 2-amino-5-nitrobenzene-1-sulfonate
    • MDL: MFCD28139171
    • Inchi: 1S/C6H6N2O5S.H3N/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;/h1-3H,7H2,(H,11,12,13);1H3
    • InChI Key: GLDLSNRCCDDGQZ-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C=CC=1N)[N+](=O)[O-])(=O)(=O)[O-].[NH4+]

Computed Properties

  • Exact Mass: 235.02637
  • Monoisotopic Mass: 235.026
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 303
  • 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: 136A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Boiling Point: 583.7°Cat760mmHg
  • Flash Point: 306.8°C
  • PSA: 162.86

Ammonium 2-amino-5-nitrobenzene-1-sulfonate Pricemore >>

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