Cas no 79326-96-8 (3-Nitrobenzenesulfonic Acid Hydrate)

3-Nitrobenzenesulfonic Acid Hydrate structure
79326-96-8 structure
Product Name:3-Nitrobenzenesulfonic Acid Hydrate
CAS No:79326-96-8
MF:C6H7NO6S
MW:221.187880754471
CID:984648
PubChem ID:2735103
Update Time:2024-10-27

3-Nitrobenzenesulfonic Acid Hydrate Chemical and Physical Properties

Names and Identifiers

    • 3-nitrobenzenesulfonic acid monohydrate
    • 3-Nitrobenzenesulfonic acid hydrate
    • M-NITROBENZENESULFONIC ACID N-HYDRATE
    • AK165792
    • Phosphonic acid,P-(3-nitrophenyl)-
    • Benzenesulfonic acid, 3-nitro-, monohydrate (9CI)
    • C6H7NO6S
    • SY119645
    • 3-nitrobenzenesulfonic acid;hydrate
    • D82946
    • AS-63999
    • CS-0156869
    • A864877
    • 79326-96-8
    • SCHEMBL8747065
    • 3-NitrobenzenesulfonicAcidHydrate
    • AKOS025290410
    • MFCD00151046
    • 3-nitrobenzene-1-sulfonic acid hydrate
    • DB-228728
    • 3-Nitrobenzenesulfonic Acid Hydrate
    • MDL: MFCD00151046
    • Inchi: 1S/C6H5NO5S.H2O/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);1H2
    • InChI Key: PQEALYGHSZTSEQ-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=C(S(O)(=O)=O)C=CC=1)=O.O

Computed Properties

  • Exact Mass: 220.99900
  • Monoisotopic Mass: 220.999
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 287
  • 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: 110

Experimental Properties

  • Melting Point: 90-95 °C
  • PSA: 117.80000
  • LogP: 2.38120

3-Nitrobenzenesulfonic Acid Hydrate Security Information

3-Nitrobenzenesulfonic Acid Hydrate Customs Data

  • HS CODE:29049095

3-Nitrobenzenesulfonic Acid Hydrate Pricemore >>

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