CAS 1260659-05-9

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

Description:

5-(Chloromethyl)-1-methyl-3-nitro-1H-pyrazole is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. The presence of a chloromethyl group at the 5-position and a nitro group at the 3-position contributes to its reactivity and potential applications in various chemical syntheses. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests that it could participate in nucleophilic substitution reactions due to the electrophilic nature of the chloromethyl group. Additionally, the nitro group can influence the compound's electronic properties, potentially making it useful in the development of pharmaceuticals or agrochemicals. Safety data should be consulted for handling, as compounds with halogenated groups can pose health risks. Overall, 5-(Chloromethyl)-1-methyl-3-nitro-1H-pyrazole is of interest in synthetic organic chemistry and may have applications in medicinal chemistry.

Formula: C₅H₆ClN₃O₂

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

InChI key: InChIKey=IDYXZITVWNNMHX-UHFFFAOYSA-N

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

Synonyms:

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