Chemical Properties of 4-nitroimidazole

4-nitroimidazole

InChI
InChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)
InChI Key
VYDWQPKRHOGLPA-UHFFFAOYSA-N
Formula
C3H3N3O2
SMILES
O=[N+]([O-])c1cnc[nH]1
Molecular Weight1
113.08
Other Names
  • 4(5)-nitroimidazole
  • 4-nitro-1H-imidazole
  • 5-nitro-1H-imidazole
  • 5-nitroimidazole
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Physical Properties

Property Value Unit Source
logPoct/wat -0.164 Crippen Calculated Property
McVol 71.050 ml/mol McGowan Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 122.90 kJ/mol 298.15 Calorimetric and computational studies for three nitroimidazole isomers

Similar Compounds

1H-Imidazole, 4-nitro-. 2,5-dinitro-1H-imidazole. Imidazole, 4-methyl-5-nitro-. 1H-Imidazole, 1-methyl-5-nitro-. Imidazole-5(4)-carboxamide, n-methyl-4(5)-nitro-. Imidazole-4(5)-carboxylic acid, 5(4)-nitro, hydrazide. Acetic acid, 5-nitroimidazole-4-carboxamido-, ethyl ester. Bis(5-nitroimidazole-4-carboxamido)ethylene. Imidazole, 4-morpholinocarbonyl-5-nitro-. 5-IMIDAZOLIC ACID, 4-NITRO-, METHYL(ESTER). Ethyl 4-nitro-1h-imidazole-5-carboxylate. Imidazole-4-carboxamide, n-ethyl-5-nitro. Imidazole-4-carboxamide, n-butyl-5-nitro-. 5-Chloro-1-methyl-4-nitroimidazole. Imidazole, 4-(4-methylpiperidinocarbonyl)-5-nitro-.

Find more compounds similar to 4-nitroimidazole.

Sources

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