CAS 102879-02-7

1-(2,4-Dichlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

Description:

1-(2,4-Dichlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid, with CAS number 102879-02-7, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a dichlorophenyl group, contributing to its potential biological activity and hydrophobic characteristics. The presence of a carboxylic acid functional group enhances its solubility in polar solvents and may influence its reactivity and interaction with biological systems. The methyl group at the 5-position of the triazole ring can affect the compound's steric properties and overall stability. This compound is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential applications as a fungicide or herbicide. Its specific properties, such as melting point, boiling point, and solubility, can vary based on environmental conditions and the presence of other substances. As with many triazole derivatives, it may exhibit antifungal activity, making it a subject of research in medicinal chemistry.

Formula: C₁₀H₇Cl₂N₃O₂

InChI: InChI=1S/C10H7Cl2N3O2/c1-5-9(10(16)17)13-14-15(5)8-3-2-6(11)4-7(8)12/h2-4H,1H3,(H,16,17)

InChI key: InChIKey=VDFOLUDUJCTIHG-UHFFFAOYSA-N

SMILES: CC=1N(N=NC1C(O)=O)C2=C(Cl)C=C(Cl)C=C2

Synonyms:

• 1H-1,2,3-Triazole-4-carboxylic acid, 1-(2,4-dichlorophenyl)-5-methyl-
• NSC 184841
• 1-(2,4-Dichlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid