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CAS 86999-29-3

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(5-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile

Description:
(5-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile, with the CAS number 86999-29-3, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a phenyl group attached to the triazole, contributing to its aromatic properties and potentially influencing its reactivity and solubility. The acetonitrile functional group introduces a nitrile (-C≡N) moiety, which is known for its polar character and ability to participate in various chemical reactions, including nucleophilic additions. The presence of both the triazole and nitrile functionalities suggests potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Additionally, the compound may exhibit biological activity, making it of interest in medicinal chemistry. Its stability, solubility, and reactivity can vary based on the specific conditions and solvents used in experiments or applications. Overall, this compound represents a versatile structure with potential utility in various chemical and biological contexts.
Formula:C10H8N4
InChI:InChI=1/C10H8N4/c11-7-6-9-12-10(14-13-9)8-4-2-1-3-5-8/h1-5H,6H2,(H,12,13,14)
SMILES:c1ccc(cc1)c1nc(CC#N)[nH]n1
Synonyms:
  • (3-phenyl-1H-1,2,4-triazol-5-yl)acetonitrile
  • 1H-1,2,4-triazole-5-acetonitrile, 3-phenyl-
  • 4H-1,2,4-triazole-3-acetonitrile, 5-phenyl-
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