CAS 1803565-87-8

4-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazole-3-sulfonyl fluoride

Description:

4-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazole-3-sulfonyl fluoride is a chemical compound characterized by its unique triazole ring structure, which contributes to its reactivity and potential applications in various fields, including agrochemicals and pharmaceuticals. The presence of a trifluoromethyl group enhances its lipophilicity and biological activity, while the sulfonyl fluoride moiety can serve as a reactive electrophile in chemical reactions. This compound is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions, although it can be sensitive to moisture and heat. Its synthesis often involves multi-step organic reactions, and it may be handled with caution due to potential toxicity and reactivity. The compound's specific properties, such as solubility, melting point, and spectral characteristics, can vary based on purity and environmental conditions. Overall, 4-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazole-3-sulfonyl fluoride is of interest for its potential utility in synthetic chemistry and biological applications.

Formula: C₄H₃F₄N₃O₂S

InChI: InChI=1S/C4H3F4N3O2S/c1-11-2(4(5,6)7)9-10-3(11)14(8,12)13/h1H3

InChI key: InChIKey=MMBYGWZHTYRMDG-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1N(C)C(S(F)(=O)=O)=NN1

Synonyms:

• 4H-1,2,4-Triazole-3-sulfonyl fluoride, 4-methyl-5-(trifluoromethyl)-
• 4-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazole-3-sulfonyl fluoride

4-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazole-3-sulfonyl fluoride

CAS: 1803565-87-8

Versatile small molecule scaffold

Formula: C₄H₃F₄N₃O₂S

Purity: Min. 95%

Molecular weight: 233.15 g/mol

Ref: 3D-DXC56587