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CAS 868755-54-8

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3-(1H-1,2,4-Triazol-1-yl)benzaldehyde

Description:
3-(1H-1,2,4-Triazol-1-yl)benzaldehyde is an organic compound characterized by the presence of a benzaldehyde group attached to a triazole ring. This compound features a triazole moiety, which is a five-membered heterocyclic ring containing three nitrogen atoms, contributing to its unique chemical properties. The presence of the aldehyde functional group (-CHO) allows for reactivity typical of aldehydes, such as nucleophilic addition reactions. This compound is often utilized in medicinal chemistry and material science due to its potential biological activity and ability to form coordination complexes. It may exhibit properties such as antimicrobial, antifungal, or anticancer activities, making it of interest in pharmaceutical research. Additionally, its structural characteristics allow for various synthetic modifications, enhancing its utility in diverse chemical applications. As with many triazole derivatives, it may also participate in hydrogen bonding and other intermolecular interactions, influencing its solubility and reactivity in different solvents.
Formula:C9H7N3O
InChI:InChI=1S/C9H7N3O/c13-5-8-2-1-3-9(4-8)12-7-10-6-11-12/h1-7H
InChI key:InChIKey=YGKBHMJLDGOYPI-UHFFFAOYSA-N
SMILES:C(=O)C=1C=C(C=CC1)N2C=NC=N2
Synonyms:
  • 3-(1,2,4-Triazol-1-yl)benzaldehyde
  • Benzaldehyde, 3-(1H-1,2,4-triazol-1-yl)-
  • 3-(1H-1,2,4-Triazol-1-yl)benzaldehyde
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