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CAS 167627-00-1

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

Description:
3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoic acid, identified by its CAS number 167627-00-1, is an organic compound characterized by the presence of both an amino group and a carboxylic acid group, which contribute to its acidic and basic properties. The structure features a benzene ring substituted with an amino group at the meta position and a 1H-1,2,4-triazole moiety, which enhances its potential for biological activity. This compound is typically a white to off-white solid and is soluble in polar solvents, reflecting its functional groups' ability to engage in hydrogen bonding. It may exhibit properties such as antimicrobial or antifungal activity, making it of interest in pharmaceutical research. The presence of the triazole ring suggests potential applications in agrochemicals or as a building block in the synthesis of more complex molecules. As with many organic compounds, its stability and reactivity can be influenced by environmental factors such as pH and temperature.
Formula:C9H8N4O2
InChI:InChI=1S/C9H8N4O2/c10-7-3-6(9(14)15)1-2-8(7)13-5-11-4-12-13/h1-5H,10H2,(H,14,15)
InChI key:InChIKey=CPNOTQAFLGSXAF-UHFFFAOYSA-N
SMILES:NC1=C(C=CC(C(O)=O)=C1)N2C=NC=N2
Synonyms:
  • 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoic acid
  • Benzoic acid, 3-amino-4-(1H-1,2,4-triazol-1-yl)-
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