Description

1-[5-Phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CAS No. 231947-22-1) is a high-purity organic compound with the molecular formula C₁₂H₉F₃N₂O, designed for advanced research and industrial applications. This specialized pyrazole derivative features a phenyl group and a trifluoromethyl substituent, offering unique reactivity and stability for synthetic chemistry. Its precise structure, 1-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone, makes it a valuable intermediate in pharmaceuticals, agrochemicals, and material science. Available in >98% purity (HPLC), it is supplied in sealed packaging under inert conditions to ensure longevity and performance. Ideal for cross-coupling reactions, heterocyclic synthesis, and fluorinated compound studies.

Properties

• CAS Number: 231947-22-1
• Complexity: 313
• IUPAC Name: 1-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
• InChI: InChI=1S/C12H9F3N2O/c1-8(18)17-10(9-5-3-2-4-6-9)7-11(16-17)12(13,14)15/h2-7H,1H3
• InChI Key: AQFXIWDRLHRFIC-UHFFFAOYSA-N
• Exact Mass: 254.06669740
• Molecular Formula: C12H9F3N2O
• Molecular Weight: 254.21
• SMILES: CC(=O)N1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2
• Topological: 34.9
• Monoisotopic Mass: 254.06669740
• Synonyms: 231947-22-1, 1-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone, 1-Acetyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazole, MFCD00153639, 1-Acetyl-5(3)-phenyl-3(5)-trifluoromethylpyrazole, 1-acetyl-5-phenyl-3-(trifluoromethyl)pyrazole, 1-(5-Phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone, 1H-Pyrazole, 1-acetyl-3(or 5)-phenyl-5(or 3)-(trifluoromethyl)- (9CI), SCHEMBL1905913, AQFXIWDRLHRFIC-UHFFFAOYSA-N, SBB101388, AKOS024388201, 934166-44-6, ST51041746, 1-[5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one, 1-ACETYL-3(5)-TRIFLUOROMETHYL-5(3)-(PHENYL)PYRAZOLE

Application

This compound serves as a versatile building block in medicinal chemistry for designing bioactive molecules, particularly kinase inhibitors and anti-inflammatory agents. Its trifluoromethyl group enhances metabolic stability, making it valuable in drug discovery. Researchers also utilize it in agrochemical development for crop protection agents. In material science, it contributes to fluorinated polymers and specialty coatings.

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.