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CAS 862112-26-3

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1H-1,2,3-Triazole-4-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester

Description:
1H-1,2,3-Triazole-4-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This compound features a carboxylic acid functional group and an ethyl ester moiety, contributing to its reactivity and solubility properties. The presence of a trifluoromethyl group enhances its lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry and agrochemical applications. The compound is typically synthesized through methods involving the coupling of appropriate precursors, and its properties may include moderate to high stability under standard conditions. It may exhibit potential applications in pharmaceuticals, particularly as a building block for drug development due to its unique structural features. Additionally, the compound's solubility in organic solvents and its reactivity with various nucleophiles can be exploited in synthetic chemistry. Safety data and handling precautions should be observed, as with any chemical substance, to ensure safe laboratory practices.
Formula:C6H6F3N3O2
InChI:InChI=1S/C6H6F3N3O2/c1-2-14-5(13)3-4(6(7,8)9)11-12-10-3/h2H2,1H3,(H,10,11,12)
InChI key:InChIKey=XBNJMJXBFYMNAL-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(C(F)(F)F)N=NN1
Synonyms:
  • Ethyl 5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylate
  • 1H-1,2,3-Triazole-4-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester
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