CAS 1245823-46-4

Methyl 1-(chloromethyl)-4-nitro-1H-pyrazole-3-carboxylate

Description:

Methyl 1-(chloromethyl)-4-nitro-1H-pyrazole-3-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a chloromethyl group, which enhances its reactivity, and a nitro group that contributes to its electronic properties, making it potentially useful in various chemical reactions. The presence of the carboxylate group indicates that it can participate in esterification and other reactions typical of carboxylic acids. Its molecular structure suggests that it may exhibit biological activity, making it of interest in pharmaceutical research. The compound is likely to be a solid at room temperature and may have specific solubility characteristics depending on the solvent used. Safety data should be consulted for handling, as the chloromethyl and nitro groups can pose hazards. Overall, this compound's unique functional groups and structure make it a candidate for further study in synthetic chemistry and potential applications in drug development.

Formula: C₆H₆ClN₃O₄

InChI: InChI=1S/C6H6ClN3O4/c1-14-6(11)5-4(10(12)13)2-9(3-7)8-5/h2H,3H2,1H3

InChI key: InChIKey=TWEUOTAYRCUSGT-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C(N(=O)=O)=CN(CCl)N1

Synonyms:

• 1H-Pyrazole-3-carboxylic acid, 1-(chloromethyl)-4-nitro-, methyl ester
• Methyl 1-(chloromethyl)-4-nitro-1H-pyrazole-3-carboxylate