CAS 1322604-41-0

3-Chloro-1H-1,2,4-triazole-1-acetonitrile

Description:

3-Chloro-1H-1,2,4-triazole-1-acetonitrile is a heterocyclic compound characterized by the presence of a triazole ring, which is a five-membered ring containing three nitrogen atoms and two carbon atoms. The compound features a chloro substituent at the 3-position of the triazole ring and an acetonitrile group attached to the 1-position. This structure imparts unique chemical properties, including potential reactivity due to the presence of the chloro group, which can participate in nucleophilic substitution reactions. The acetonitrile moiety contributes to the compound's polarity and solubility in polar solvents. 3-Chloro-1H-1,2,4-triazole-1-acetonitrile may exhibit biological activity, making it of interest in pharmaceutical and agrochemical research. Its CAS number, 1322604-41-0, allows for precise identification in chemical databases. Overall, this compound's unique structure and functional groups suggest potential applications in various fields, including medicinal chemistry and material science.

Formula: C₄H₃ClN₄

InChI: InChI=1S/C4H3ClN4/c5-4-7-3-9(8-4)2-1-6/h3H,2H2

InChI key: InChIKey=OMGUHXSRLHFDQO-UHFFFAOYSA-N

SMILES: C(C#N)N1N=C(Cl)N=C1

Synonyms:

• 1H-1,2,4-Triazole-1-acetonitrile, 3-chloro-
• 3-Chloro-1H-1,2,4-triazole-1-acetonitrile