CAS 1260658-91-0

3-(Chloromethyl)-1-methyl-5-nitro-1H-pyrazole

Description:

3-(Chloromethyl)-1-methyl-5-nitro-1H-pyrazole is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic heterocycle containing two nitrogen atoms. The presence of a chloromethyl group at the 3-position and a nitro group at the 5-position contributes to its reactivity and potential applications in various chemical reactions. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its nitro group can participate in electrophilic substitution reactions, while the chloromethyl group can serve as a reactive site for nucleophilic attacks. The compound's unique functional groups suggest potential uses in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Safety data should be consulted, as compounds containing nitro and chloro groups can pose health risks and environmental concerns. Proper handling and storage conditions are essential to ensure safety during use.

Formula: C₅H₆ClN₃O₂

InChI: InChI=1S/C5H6ClN3O2/c1-8-5(9(10)11)2-4(3-6)7-8/h2H,3H2,1H3

InChI key: InChIKey=RXVPLFZDYRMKRY-UHFFFAOYSA-N

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

Synonyms:

• 3-(Chloromethyl)-1-methyl-5-nitro-1H-pyrazole
• 1H-Pyrazole, 3-(chloromethyl)-1-methyl-5-nitro-