Description

1-Acetyl-3-(heptafluoropropyl)-5-methyl-1H-pyrazole (CAS No. 231301-24-9) is a high-purity fluorinated pyrazole derivative with the molecular formula C₉H₇F₇N₂O. This specialized compound features a heptafluoropropyl group and an acetyl moiety, making it a valuable intermediate for advanced organic synthesis and pharmaceutical research. Its IUPAC name is 1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methylpyrazol-1-yl]ethanone. The product is rigorously tested for purity and stability, ensuring optimal performance in demanding applications. Suitable for researchers and industrial scientists, it is available in various packaging options to meet laboratory-scale and bulk requirements.

Properties

• CAS Number: 231301-24-9
• Complexity: 368
• IUPAC Name: 1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-pyrazol-1-yl]ethanone
• InChI: InChI=1S/C9H7F7N2O/c1-4-3-6(17-18(4)5(2)19)7(10,11)8(12,13)9(14,15)16/h3H,1-2H3
• InChI Key: HXVJDQWWUQGLKB-UHFFFAOYSA-N
• Exact Mass: 292.04465999
• Molecular Formula: C9H7F7N2O
• Molecular Weight: 292.15
• SMILES: CC1=CC(=NN1C(=O)C)C(C(C(F)(F)F)(F)F)(F)F
• Topological: 34.9
• Monoisotopic Mass: 292.04465999
• Synonyms: 231301-24-9, 1-Acetyl-3(5)-heptafluoropropyl-5(3)-methylpyrazole, 1-Acetyl-3-(heptafluoropropyl)-5-methyl-1H-pyrazole, 1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methylpyrazol-1-yl]ethanone, 1-(5-Methyl-3-(perfluoropropyl)-1H-pyrazol-1-yl)ethanone, MFCD00153626, AKOS007930786, 1-ACETYL-3(5)-(HEPTAFLUORO-1-PROPYL)-5(3)-(METHYL)PYRAZOLE, 1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-1H-pyrazol-1-yl]ethan-1-one

Application

This fluorinated pyrazole derivative is primarily used as a key intermediate in the synthesis of agrochemicals, pharmaceuticals, and specialty materials. Its unique structure enables applications in the development of bioactive compounds and fluorinated polymers. Researchers also utilize it in catalysis and ligand design due to its electron-withdrawing properties. The compound is particularly valuable in medicinal chemistry for probing enzyme interactions.

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