CAS 109012-24-0

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

Description:

1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid is a heterocyclic organic compound characterized by its imidazole ring, which is a five-membered aromatic structure containing two nitrogen atoms. The presence of a methyl group at the 1-position and a nitro group at the 4-position contributes to its unique chemical properties. The carboxylic acid functional group at the 2-position enhances its acidity and solubility in polar solvents. This compound is typically used in various chemical syntheses and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its nitro group can participate in electrophilic substitution reactions, while the carboxylic acid can engage in acid-base reactions. The compound's molecular structure allows for potential interactions with biological systems, making it of interest in medicinal chemistry. Safety data should be consulted for handling and storage, as compounds with nitro groups can sometimes exhibit explosive properties under certain conditions. Overall, 1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid is a versatile compound with applications in research and industry.

Formula: C₅H₅N₃O₄

InChI: InChI=1S/C5H5N3O4/c1-7-2-3(8(11)12)6-4(7)5(9)10/h2H,1H3,(H,9,10)

InChI key: InChIKey=YGULFBUDTAHAKI-UHFFFAOYSA-N

SMILES: N(=O)(=O)C=1N=C(C(O)=O)N(C)C1

Synonyms:

• 1H-Imidazole-2-carboxylic acid, 1-methyl-4-nitro-
• 1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid