CAS 58419-67-3

methyl 4-(1H-1,2,4-triazol-1-yl)benzoate

Description:

Methyl 4-(1H-1,2,4-triazol-1-yl)benzoate, with the CAS number 58419-67-3, is an organic compound characterized by its triazole and benzoate functional groups. This substance typically appears as a white to off-white solid or crystalline powder. It is soluble in organic solvents such as ethanol and dimethyl sulfoxide, but has limited solubility in water. The compound exhibits biological activity, often studied for its potential applications in pharmaceuticals, particularly as an antifungal agent due to the presence of the triazole moiety, which is known for its ability to inhibit fungal cytochrome P450 enzymes. Its molecular structure includes a methyl ester group, contributing to its reactivity and interaction with biological systems. Additionally, the compound's stability and reactivity can be influenced by environmental factors such as pH and temperature. Safety data should be consulted for handling and usage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₁₀H₉N₃O₂

InChI: InChI=1/C10H9N3O2/c1-15-10(14)8-2-4-9(5-3-8)13-7-11-6-12-13/h2-7H,1H3

SMILES: COC(=O)c1ccc(cc1)n1cncn1

Synonyms:

• benzoic acid, 4-(1H-1,2,4-triazol-1-yl)-, methyl ester
• Methyl 4-(1H-1,2,4-triazol-1-yl)benzoate

Methyl 4-[1,2,4]triazol-1-yl-benzoate

CAS: 58419-67-3

Formula: C₁₀H₉N₃O₂

Color and Shape: Solid

Molecular weight: 203.1974

Ref: IN-DA00EDCR

Methyl 4-(1H-1,2,4-triazol-1-yl)benzoate

CAS: 58419-67-3

Methyl 4-(1H-1,2,4-triazol-1-yl)benzoate

Purity: ≥95%

Molecular weight: 203.20g/mol

Ref: 54-OR15051