CymitQuimica logo

CAS 857284-23-2

:

3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid

Description:
3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid is a chemical compound characterized by its unique structure, which includes a benzoic acid moiety and a triazole ring. The presence of the triazole group imparts specific biological and chemical properties, making it of interest in various fields, including medicinal chemistry and agrochemicals. This compound typically exhibits moderate solubility in polar solvents due to the carboxylic acid functional group, while the triazole can participate in hydrogen bonding and coordination with metal ions. Its molecular structure suggests potential applications in drug development, particularly as a scaffold for designing bioactive molecules. Additionally, the compound may exhibit antimicrobial or antifungal properties, which are common in triazole derivatives. The CAS number 857284-23-2 serves as a unique identifier for this substance, facilitating its identification in chemical databases and literature. Overall, the combination of the benzoic acid and triazole functionalities contributes to its chemical reactivity and potential applications in various scientific domains.
Formula:C10H9N3O2
InChI:InChI=1S/C10H9N3O2/c14-10(15)9-3-1-2-8(4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)
InChI key:InChIKey=XIJPFLBFQZEFKY-UHFFFAOYSA-N
SMILES:C(C1=CC(C(O)=O)=CC=C1)N2C=NC=N2
Synonyms:
  • Benzoic acid, 3-(1H-1,2,4-triazol-1-ylmethyl)-
  • 3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid
  • 3-[1,2,4]Triazol-1-ylmethyl-benzoic acid
Sort by
Purity (%)
0
100
|
0
|
50
|
90
|
95
|
100
Found 3 products.