CAS 1018053-08-1

1-(2-Chloro-6-nitrophenyl)-1H-1,2,4-triazole

Description:

1-(2-Chloro-6-nitrophenyl)-1H-1,2,4-triazole is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a chloro and a nitro substituent on the phenyl ring, contributing to its unique chemical properties and potential biological activity. The presence of the chloro group can enhance lipophilicity, while the nitro group may impart specific reactivity and influence the compound's electronic properties. It is typically synthesized through methods involving the reaction of appropriate precursors, and its structure can be confirmed using techniques such as NMR and mass spectrometry. This compound may exhibit various applications in fields such as pharmaceuticals, agrochemicals, or materials science, particularly due to its potential as a bioactive agent. However, specific safety and handling guidelines should be followed, as compounds with halogen and nitro groups can pose environmental and health risks.

Formula: C₈H₅ClN₄O₂

InChI: InChI=1S/C8H5ClN4O2/c9-6-2-1-3-7(13(14)15)8(6)12-5-10-4-11-12/h1-5H

InChI key: InChIKey=IKLNRGAVIXRFSX-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(C(Cl)=CC=C1)N2C=NC=N2

Synonyms:

• 1-(2-Chloro-6-nitrophenyl)-1H-1,2,4-triazole
• 1H-1,2,4-Triazole, 1-(2-chloro-6-nitrophenyl)-