Chemical Properties of 5-Chloro-1-methyl-4-nitroimidazole

InChI

InChI=1S/C4H4ClN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3

InChI Key

OSJUNMSWBBOTQU-UHFFFAOYSA-N

Formula

C4H4ClN3O2

SMILES

Cn1cnc([N+](=O)[O-])c1Cl

Molecular Weight¹

161.55

Other Names

• 1-methyl-4-nitro-5-chloroimidazole
• 5-chloro-1-methyl-4-nitro-1H-imidazole
• A(S50154-9)
• Imidazole, 5-chloro-1-methyl-4-nitro-

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 5-Chloro-1-methyl-4-nitroimidazole.

Mixtures

• Ethanol + 5-Chloro-1-methyl-4-nitroimidazole
• Methyl Alcohol + 5-Chloro-1-methyl-4-nitroimidazole
• 1-Propanol + 5-Chloro-1-methyl-4-nitroimidazole
• 2-Propanol + 5-Chloro-1-methyl-4-nitroimidazole
• Ethyl Acetate + 5-Chloro-1-methyl-4-nitroimidazole
• Acetone + 5-Chloro-1-methyl-4-nitroimidazole
• Toluene + 5-Chloro-1-methyl-4-nitroimidazole
• Trichloromethane + 5-Chloro-1-methyl-4-nitroimidazole
• 1,4-Dioxane + 5-Chloro-1-methyl-4-nitroimidazole
• 2-Pyrrolidinone, 1-methyl- + 5-Chloro-1-methyl-4-nitroimidazole
• 2-Butanone + 5-Chloro-1-methyl-4-nitroimidazole

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Thermodynamic modelling for solubility of 5-chloro-1-methyl-4-nitroimidazole in eleven organic solvents from T = (283.15 to 318.15) K
• McGowan Method
• NIST Webbook

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