CAS 73217-35-3

3-(Chloromethyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole

Description:

3-(Chloromethyl)-5-(3-nitrophenyl)-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 chloromethyl group, which enhances its reactivity, and a nitrophenyl group that contributes to its electronic properties and potential applications in various fields. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of the nitro group suggests potential applications in materials science, particularly in the development of dyes or pharmaceuticals, due to its ability to participate in electrophilic aromatic substitution reactions. Additionally, the chloromethyl group can serve as a reactive site for further chemical modifications, making it a versatile intermediate in organic synthesis. Safety data should be consulted, as compounds containing halogens and nitro groups can pose health and environmental risks. Overall, this compound's unique structure and functional groups make it of interest in both academic research and industrial applications.

Formula: C₉H₆ClN₃O₃

InChI: InChI=1S/C9H6ClN3O3/c10-5-8-11-9(16-12-8)6-2-1-3-7(4-6)13(14)15/h1-4H,5H2

InChI key: InChIKey=VMJJEWAFFGUEMU-UHFFFAOYSA-N

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

Synonyms:

• 3-Chloromethyl-5-(3-nitrophenyl)-[1,2,4]oxadiazole
• 3-(Chloromethyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
• 1,2,4-Oxadiazole, 3-(chloromethyl)-5-(3-nitrophenyl)-