Cas no 602-00-6 (3-Hydroxy-2-nitrobenzoic acid)

3-Hydroxy-2-nitrobenzoic acid is a nitro-substituted aromatic carboxylic acid with the molecular formula C?H?NO?. This compound features both hydroxyl and nitro functional groups ortho to the carboxylic acid moiety, imparting unique reactivity for applications in organic synthesis and pharmaceutical intermediates. Its structural properties make it a valuable precursor for the preparation of dyes, agrochemicals, and fine chemicals. The presence of electron-withdrawing and donating groups enhances its utility in electrophilic and nucleophilic substitution reactions. The compound is typically supplied as a crystalline solid with high purity, ensuring consistent performance in research and industrial processes. Proper handling is advised due to potential sensitivity to heat and light.
3-Hydroxy-2-nitrobenzoic acid structure
3-Hydroxy-2-nitrobenzoic acid structure
Product Name:3-Hydroxy-2-nitrobenzoic acid
CAS No:602-00-6
MF:C7H5NO5
MW:183.118302106857
MDL:MFCD00017003
CID:38707
PubChem ID:293291
Update Time:2025-06-08

3-Hydroxy-2-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Hydroxy-2-nitrobenzoic acid
    • NSC 159685
    • 3-Hydroxy-2-nitrobenzoicacid
    • 3-hydroxy-2-nitro-benzoic acid
    • Benzoic acid, hydroxynitro-
    • 2-Nitro-3-hydroxybenzoic acid
    • NSC159685
    • PubChem8846
    • Nitro-m-oxybenzoesaure
    • KSC288Q8J
    • 2-nitro-3-oxidanyl-benzoic acid
    • KPDBKQKRDJPBRM-UHFFFAOYSA-N
    • Benzoic acid, 3-hydroxy-2-nitro-
    • SBB064690
    • CM12810
    • Z1255465046
    • AKOS015856234
    • CS-D1622
    • MFCD00017003
    • SCHEMBL71886
    • A8414
    • 602-00-6
    • EN300-109083
    • AM808202
    • NSC-159685
    • FT-0602016
    • AE-562/43459442
    • AC-3192
    • SY005028
    • A832829
    • GS-3170
    • DTXSID00975623
    • H1324
    • DB-006455
    • ALBB-036636
    • 676-645-2
    • F9A2W8R5VV
    • DTXCID001403021
    • FH36869
    • MDL: MFCD00017003
    • Inchi: 1S/C7H5NO5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)
    • InChI Key: KPDBKQKRDJPBRM-UHFFFAOYSA-N
    • SMILES: OC1=CC=CC(C(=O)O)=C1[N+](=O)[O-]
    • BRN: 2372248

Computed Properties

  • Exact Mass: 183.01700
  • Monoisotopic Mass: 183.017
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 223
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 103

Experimental Properties

  • Color/Form: Not available
  • Density: 1.631
  • Melting Point: 180.0 to 184.0 deg-C
  • Boiling Point: 363 oC
  • Flash Point: 167 oC
  • Refractive Index: 1.663
  • PSA: 103.35000
  • LogP: 1.52180
  • Solubility: Not available

3-Hydroxy-2-nitrobenzoic acid Security Information

3-Hydroxy-2-nitrobenzoic acid Pricemore >>

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