Cas no 5465-34-9 (2-Amino-5-methyl-3-nitrobenzoic acid)

2-Amino-5-methyl-3-nitrobenzoic acid is a versatile nitro-substituted benzoic acid derivative with significant applications in organic synthesis and pharmaceutical research. Its structure features an amino group at the 2-position, a methyl group at the 5-position, and a nitro group at the 3-position, offering multiple reactive sites for further functionalization. This compound serves as a valuable intermediate in the synthesis of heterocyclic compounds, dyes, and active pharmaceutical ingredients (APIs). The presence of both electron-donating (amino) and electron-withdrawing (nitro) groups enhances its utility in regioselective reactions. It exhibits good solubility in polar organic solvents, facilitating its use in various reaction conditions. The compound's high purity and stability make it suitable for demanding synthetic applications.
2-Amino-5-methyl-3-nitrobenzoic acid structure
5465-34-9 structure
Product Name:2-Amino-5-methyl-3-nitrobenzoic acid
CAS No:5465-34-9
MF:C8H8N2O4
MW:196.160121917725
MDL:MFCD00031128
CID:839627
PubChem ID:231984
Update Time:2025-07-02

2-Amino-5-methyl-3-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Amino-5-methyl-3-nitrobenzoic acid
    • 2-amino-5-methyl-3-nitro-benzoic acid
    • 2-amino-3-nitro-5-methylbenzoic acid
    • 2-Amino-5-methyl-3-nitro-benzoesaeure
    • 5-methyl-3-nitroanthranilic acid
    • AC1L5MVZ
    • AC1Q2GTH
    • AC1Q5AKV
    • AR-1D8508
    • CTK5A2098
    • NSC28975
    • SureCN505297
    • RRUISNJFUYWQKF-UHFFFAOYSA-N
    • NSC-28975
    • AKOS016000594
    • 2-Amino-5-methyl-3-nitrobenzoicacid
    • Benzoic acid, 2-amino-5-methyl-3-nitro-
    • SCHEMBL505297
    • 5465-34-9
    • DTXSID70282957
    • DA-04988
    • CS-0217051
    • EN300-67284
    • MDL: MFCD00031128
    • Inchi: 1S/C8H8N2O4/c1-4-2-5(8(11)12)7(9)6(3-4)10(13)14/h2-3H,9H2,1H3,(H,11,12)
    • InChI Key: RRUISNJFUYWQKF-UHFFFAOYSA-N
    • SMILES: OC(C1C=C(C)C=C(C=1N)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 196.04844
  • Monoisotopic Mass: 196.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 250
  • 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
  • Topological Polar Surface Area: 109A^2
  • XLogP3: 1.5

Experimental Properties

  • Density: 1.482
  • Boiling Point: 398.3°C at 760 mmHg
  • Flash Point: 194.7°C
  • Refractive Index: 1.658
  • PSA: 106.46

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