CAS 119738-09-9

5-(1-Chloroethyl)-3-(1-methylethyl)-1,2,4-oxadiazole

Description:

5-(1-Chloroethyl)-3-(1-methylethyl)-1,2,4-oxadiazole is a chemical compound characterized by its oxadiazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms and three carbon atoms. This compound features a chloroethyl group and an isopropyl group, contributing to its unique reactivity and potential applications. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. The presence of the chloroethyl group suggests potential for nucleophilic substitution reactions, while the oxadiazole moiety may impart biological activity, making it of interest in pharmaceutical research. Additionally, the compound's structure may influence its stability, melting point, and boiling point, which are important for its handling and application in various chemical processes. Safety data should be consulted to understand its toxicity and environmental impact, as halogenated compounds can pose risks. Overall, this compound represents a class of heterocycles that are valuable in synthetic chemistry and material science.

Formula: C₇H₁₁ClN₂O

InChI: InChI=1S/C7H11ClN2O/c1-4(2)6-9-7(5(3)8)11-10-6/h4-5H,1-3H3

InChI key: InChIKey=UPWCEHOTWIZDPS-UHFFFAOYSA-N

SMILES: C(C)(C)C=1N=C(C(C)Cl)ON1

Synonyms:

• 5-(1-Chloroethyl)-3-(1-methylethyl)-1,2,4-oxadiazole
• 1,2,4-Oxadiazole, 5-(1-chloroethyl)-3-(1-methylethyl)-
• 3-iso-Propyl-5-(α-chloroethyl)-1,2,4-oxadiazole