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CAS 86386-77-8

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1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)-2-oxiranyl]methyl]-, methanesulfonate (1:1)

Description:
1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)-2-oxiranyl]methyl]-, methanesulfonate (1:1) is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a methanesulfonate group, which enhances its solubility in polar solvents and may influence its biological activity. The presence of a difluorophenyl group suggests potential applications in pharmaceuticals, particularly in the development of antifungal or antibacterial agents, as triazoles are known for their efficacy in these areas. The oxirane (epoxide) moiety indicates a reactive site that can participate in further chemical reactions, making it a versatile intermediate in organic synthesis. The compound's molecular structure contributes to its unique properties, including stability, reactivity, and potential interactions with biological targets. As with many triazole derivatives, it may exhibit specific pharmacological activities, but detailed studies would be necessary to elucidate its full profile and applications. Safety and handling precautions should be observed due to the potential toxicity associated with some of its components.
Formula:C11H9F2N3O·CH4O3S
InChI:InChI=1S/C11H9F2N3O.CH4O3S/c12-8-1-2-9(10(13)3-8)11(5-17-11)4-16-7-14-6-15-16;1-5(2,3)4/h1-3,6-7H,4-5H2;1H3,(H,2,3,4)
InChI key:InChIKey=NJBRNNOGZPVNNR-UHFFFAOYSA-N
SMILES:C(C1(CO1)C2=C(F)C=C(F)C=C2)N3C=NC=N3.S(C)(=O)(=O)O
Synonyms:
  • 1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)-2-oxiranyl]methyl]-, methanesulfonate (1:1)
  • 1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)oxiranyl]methyl]-, monomethanesulfonate
  • 2-(2,4-Difluorophenyl)-2,3-epoxy-1-(1H-1,2,4-triazol-1-yl)propane methanesulfonate salt
  • 2-(2,4-Difluorophenyl)-2-((1H-1,2,4-triazol-1-yl)methyl)oxirane methanesulfonate
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