4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile

For research use only. Not for therapeutic Use.

  • CAT Number: R004838
  • CAS Number: 112809-25-3
  • Molecular Formula: C10H8N4
  • Molecular Weight: 184.20
  • Purity: ≥95%
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4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile(Cat No.:R004838)is a heteroaryl-substituted aromatic compound featuring a benzonitrile core with a 1H-1,2,4-triazole ring attached via a methylene linker at the para position. The triazole moiety provides nitrogen-rich coordination sites, making the compound useful in medicinal and coordination chemistry. The nitrile group enhances its reactivity for further functionalization, including click reactions or nucleophilic substitutions. This molecule is often employed as an intermediate in the synthesis of antifungal agents, enzyme inhibitors, or other biologically active heterocycles, offering a scaffold with both aromatic and heteroaromatic chemical versatility.

CAS Number 112809-25-3
Synonyms

1-(4-Cyanobenzyl)-1,2,4-triazole; 4-1-(1,2,4-Triazolyl)-methyl-benzonitrile; 4-2[1-(1,2,4-Triazol-1-yl)methyl]benzonitrile; 4-[(1,2,4-Triazol-1-yl)methyl]benzonitrile; 4-[(1H-1,2,4-Triazol-1-yl)methyl]benzonitrile;

Molecular Formula C10H8N4
Purity ≥95%
Storage -20°C
IUPAC Name 4-(1,2,4-triazol-1-ylmethyl)benzonitrile
InChI InChI=1S/C10H8N4/c11-5-9-1-3-10(4-2-9)6-14-8-12-7-13-14/h1-4,7-8H,6H2
InChIKey HQLYWHSJALKYOV-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1CN2C=NC=N2)C#N
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