CAS 657423-53-5

Benzonitrile, 3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-

Description:

Benzonitrile, 3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]- is a chemical compound characterized by the presence of a benzonitrile moiety and a 1,2,4-oxadiazole ring. The compound features a chloromethyl group attached to the oxadiazole, which contributes to its reactivity and potential applications in various chemical reactions. Benzonitrile itself is known for its aromatic properties and serves as a solvent and intermediate in organic synthesis. The oxadiazole ring is notable for its biological activity and is often found in pharmaceuticals and agrochemicals. This compound may exhibit specific physical properties such as a distinct melting point and solubility characteristics, influenced by the functional groups present. Its structure suggests potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. Additionally, the presence of chlorine may enhance its reactivity, making it a candidate for further chemical modifications. As with any chemical, safety and handling precautions should be observed due to potential toxicity and environmental impact.

Formula: C₁₀H₆ClN₃O

InChI: InChI=1S/C10H6ClN3O/c11-5-9-13-10(15-14-9)8-3-1-2-7(4-8)6-12/h1-4H,5H2

InChI key: InChIKey=RUTZHBJOSPBPDQ-UHFFFAOYSA-N

SMILES: C(Cl)C=1N=C(ON1)C2=CC(C#N)=CC=C2

Synonyms:

• 3-(3-Chloromethyl-[1,2,4]oxadiazol-5-yl)benzonitrile
• Benzonitrile, 3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-

3-[3-(Chloromethyl)-1,2,4-oxadiazol-5-yl]benzonitrile

CAS: 657423-53-5

Formula: C₁₀H₆ClN₃O

Purity: 95.0%

Molecular weight: 219.63

Ref: 10-F316772