Description

1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-methyl-1H-pyrazole (CAS No. 231301-25-0) is a fluorinated pyrazole derivative with the molecular formula C₉H₆ClF₇N₂O. This high-purity compound is designed for advanced research applications, particularly in medicinal chemistry, agrochemical development, and material science. Its unique structure, featuring a heptafluoropropyl group and an acetyl moiety, makes it a valuable intermediate for synthesizing specialized fluorinated compounds. The product is rigorously tested for quality and consistency, ensuring reliable performance in demanding experimental conditions. Available in various quantities to suit laboratory-scale and pilot-scale needs, it is supplied with comprehensive analytical data including HPLC, NMR, and MS spectra.

Properties

• CAS Number: 231301-25-0
• Complexity: 400
• IUPAC Name: 1-[4-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-pyrazol-1-yl]ethanone
• InChI: InChI=1S/C9H6ClF7N2O/c1-3-5(10)6(18-19(3)4(2)20)7(11,12)8(13,14)9(15,16)17/h1-2H3
• InChI Key: CMUMCSQNHREMAG-UHFFFAOYSA-N
• Exact Mass: 326.0056876
• Molecular Formula: C9H6ClF7N2O
• Molecular Weight: 326.60
• SMILES: CC1=C(C(=NN1C(=O)C)C(C(C(F)(F)F)(F)F)(F)F)Cl
• Topological: 34.9
• Monoisotopic Mass: 326.0056876
• Synonyms: 231301-25-0, 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-methyl-1H-pyrazole, 1-Acetyl-4-chloro-3(5)-heptafluoropropyl-5(3)-methylpyrazole, 1-[4-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methylpyrazol-1-yl]ethanone, 1-Acetyl-4-chloro-5(3)-methyl-3(5)-perfluoropropylpyrazole, 1-(4-Chloro-5-methyl-3-(perfluoropropyl)-1H-pyrazol-1-yl)ethan-1-one, 496052-52-9, MFCD00153620, AKOS007929965, 1-ACETYL-4-CHLORO-3(5)-(HEPTAFLUORO-1-PROPYL)-5(3)-(METHYL)PYRAZOLE

Application

This fluorinated pyrazole derivative is primarily used as a key intermediate in the synthesis of novel agrochemicals and pharmaceuticals, where its heptafluoropropyl group enhances bioactivity and metabolic stability. Researchers also employ it in the development of advanced materials, such as liquid crystals and polymers, leveraging its unique electronic and steric properties. Its reactivity makes it suitable for cross-coupling reactions and other transformations in organofluorine chemistry.

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