Cas no 109012-24-0 (1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid)

1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid structure
109012-24-0 structure
Product Name:1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid
CAS No:109012-24-0
MF:C5H5N3O4
MW:171.110900640488
MDL:MFCD09909754
CID:1036405
PubChem ID:12067998
Update Time:2025-04-20

1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid
    • 1-methyl-4-nitroimidazole-2-carboxylic acid
    • 1H-Imidazole-2-carboxylic acid, 1-methyl-4-nitro-
    • YGULFBUDTAHAKI-UHFFFAOYSA-N
    • FCH832803
    • AB54849
    • AK128576
    • AX8250638
    • D82624
    • DB-328987
    • AS-67297
    • SCHEMBL3287960
    • 109012-24-0
    • AKOS006229920
    • 1-methyl-4-nitro-1H-Imidazole-2-carboxylicacid
    • CS-0151178
    • DTXSID70476910
    • MDL： MFCD09909754
    • Inchi： 1S/C5H5N3O4/c1-7-2-3(8(11)12)6-4(7)5(9)10/h2H,1H3,(H,9,10)
    • InChI Key： YGULFBUDTAHAKI-UHFFFAOYSA-N
    • SMILES： OC(C1=NC(=CN1C)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 171.02805
  • Monoisotopic Mass: 171.02800565g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 213
  • 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
  • XLogP3: -0.8
  • Topological Polar Surface Area: 101

Experimental Properties

  • Density: 1.72±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 134-137 oC
  • Boiling Point: 455.6±37.0 °C at 760 mmHg
  • Flash Point: 229.4±26.5 °C
  • Solubility: Slightly soluble (6 g/l) (25 o C),
  • PSA: 98.26
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid Security Information

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