Cas no 1058740-77-4 (1-methyl-6-nitro-indazole-3-carboxylic acid)

1-Methyl-6-nitro-indazole-3-carboxylic acid is a nitro-substituted indazole derivative with significant utility in pharmaceutical and organic synthesis. The compound features a carboxylic acid functional group at the 3-position and a nitro group at the 6-position, enhancing its reactivity as an intermediate for further derivatization. Its structural framework is valuable in the development of bioactive molecules, particularly in medicinal chemistry, where indazole cores are explored for their pharmacological properties. The methyl group at the 1-position contributes to stability and influences electronic properties, making it suitable for selective modifications. This compound is commonly employed in research settings for the synthesis of heterocyclic compounds and potential drug candidates.
1-methyl-6-nitro-indazole-3-carboxylic acid structure
1058740-77-4 structure
Product Name:1-methyl-6-nitro-indazole-3-carboxylic acid
CAS No:1058740-77-4
MF:C9H7N3O4
MW:221.169581651688
CID:1092304
PubChem ID:59335076
Update Time:2025-05-28

1-methyl-6-nitro-indazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-6-nitro-1H-indazole-3-carboxylic acid
    • 1-methyl-6-nitroindazole-3-carboxylic acid
    • AGN-PC-0CUUUT
    • AK146757
    • PB31207
    • SureCN2851292
    • FHZBBQZHAMFAMH-UHFFFAOYSA-N
    • AX8284291
    • 1-methyl-6-nitro-indazole-3-carboxylic acid
    • SCHEMBL2851292
    • MFCD21642034
    • P12970
    • 1-METHYL-6-NITRO-1H-INDAZOLE-3-CARBOXYLICACID
    • BS-49961
    • CS-0054649
    • SY264757
    • 1058740-77-4
    • Inchi： 1S/C9H7N3O4/c1-11-7-4-5(12(15)16)2-3-6(7)8(10-11)9(13)14/h2-4H,1H3,(H,13,14)
    • InChI Key： FHZBBQZHAMFAMH-UHFFFAOYSA-N
    • SMILES： OC(C1C2C=CC(=CC=2N(C)N=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 221.04365571g/mol
  • Monoisotopic Mass: 221.04365571g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 316
  • 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: 101
  • XLogP3: 1.3

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 479.6±25.0 °C at 760 mmHg
  • Flash Point: 243.9±23.2 °C
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

1-methyl-6-nitro-indazole-3-carboxylic acid Security Information

1-methyl-6-nitro-indazole-3-carboxylic acid Pricemore >>

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Alichem
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eNovation Chemicals LLC
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eNovation Chemicals LLC
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