CAS 1004643-52-0

4-Chloro-3,5-dimethyl-1H-pyrazole-1-acetonitrile

Description:

4-Chloro-3,5-dimethyl-1H-pyrazole-1-acetonitrile is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of a chloro group at the 4-position and two methyl groups at the 3 and 5 positions contributes to its unique chemical properties. This compound features an acetonitrile functional group, which is a nitrile (-C≡N) attached to the pyrazole ring, enhancing its reactivity and potential applications in organic synthesis. It is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents. The compound is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity and utility as an intermediate in chemical synthesis. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, 4-Chloro-3,5-dimethyl-1H-pyrazole-1-acetonitrile is a versatile compound with significant implications in chemical research and development.

Formula: C₇H₈ClN₃

InChI: InChI=1S/C7H8ClN3/c1-5-7(8)6(2)11(10-5)4-3-9/h4H2,1-2H3

InChI key: InChIKey=OLOYPLHXOYMVOF-UHFFFAOYSA-N

SMILES: C(C#N)N1C(C)=C(Cl)C(C)=N1

Synonyms:

• 4-Chloro-3,5-dimethyl-1H-pyrazole-1-acetonitrile
• 1H-Pyrazole-1-acetonitrile, 4-chloro-3,5-dimethyl-