CAS 162848-24-0

3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid

Description:

3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid is a chemical compound characterized by its aromatic structure, which includes a nitro group and a triazole moiety. This compound features a benzoic acid backbone, indicating the presence of a carboxylic acid functional group, which contributes to its acidity and potential for hydrogen bonding. The nitro group, a strong electron-withdrawing group, enhances the compound's reactivity and may influence its biological activity. The triazole ring, a five-membered heterocyclic structure, is known for its stability and ability to participate in various chemical reactions, including coordination with metal ions. This compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry. Its solubility and stability in different solvents can vary, which is important for its application in research and industry. Overall, 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid is a versatile compound with potential applications in pharmaceuticals and agrochemicals.

Formula: C₉H₆N₄O₄

InChI: InChI=1S/C9H6N4O4/c14-9(15)6-1-2-7(8(3-6)13(16)17)12-5-10-4-11-12/h1-5H,(H,14,15)

InChI key: InChIKey=ZVCHVNGMLDMGIN-UHFFFAOYSA-N

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

Synonyms:

• 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid
• Benzoic acid, 3-nitro-4-(1H-1,2,4-triazol-1-yl)-