CAS 1310379-32-8

4-Chloro-1-ethyl-1H-pyrazole-3-acetonitrile

Description:

4-Chloro-1-ethyl-1H-pyrazole-3-acetonitrile is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic ring containing two nitrogen atoms. The presence of a chloro substituent at the 4-position and an ethyl group at the 1-position contributes to its unique reactivity and properties. The acetonitrile functional group at the 3-position enhances its potential as a versatile building block in organic synthesis. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents. Its chemical structure suggests potential applications in pharmaceuticals, agrochemicals, or as an intermediate in various chemical reactions. The presence of the chloro group may impart specific reactivity, making it useful in nucleophilic substitution reactions. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, 4-Chloro-1-ethyl-1H-pyrazole-3-acetonitrile is of interest in synthetic chemistry due to its functional groups and structural features.

Formula: C₇H₈ClN₃

InChI: InChI=1S/C7H8ClN3/c1-2-11-5-6(8)7(10-11)3-4-9/h5H,2-3H2,1H3

InChI key: InChIKey=BLDFUEFGAYTQIW-UHFFFAOYSA-N

SMILES: C(C#N)C=1C(Cl)=CN(CC)N1

Synonyms:

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