Description

1-Acetyl-3-nonafluorobutyl-5-phenylpyrazole (CAS No. 511243-92-8) is a high-purity fluorinated pyrazole derivative with the molecular formula C₁₅H₉F₉N₂O. This specialized compound features a unique structure combining a phenyl group, a nonafluorobutyl chain, and an acetyl moiety, making it valuable for advanced synthetic and material science applications. Its IUPAC name is 1-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-phenylpyrazol-1-yl]ethanone. The compound is supplied as a stable solid with stringent quality controls, ensuring consistency for research and industrial use. Ideal for organofluorine chemistry, catalysis, and functional material development.

Properties

• CAS Number: 511243-92-8
• Complexity: 558
• IUPAC Name: 1-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-phenyl-pyrazol-1-yl]ethanone
• InChI: InChI=1S/C15H9F9N2O/c1-8(27)26-10(9-5-3-2-4-6-9)7-11(25-26)12(16,17)13(18,19)14(20,21)15(22,23)24/h2-7H,1H3
• InChI Key: QFYJYZHJRXKGNX-UHFFFAOYSA-N
• Exact Mass: 404.05711637
• Molecular Formula: C15H9F9N2O
• Molecular Weight: 404.23
• SMILES: CC(=O)N1C(=CC(=N1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C2=CC=CC=C2
• Topological: 34.9
• Monoisotopic Mass: 404.05711637
• Synonyms: 511243-92-8, 1-Acetyl-3(5)-nonafluorobutyl-5(3)-phenylpyrazole, 1-Acetyl-3-nonafluorobutyl-5-phenylpyrazole, 1-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-phenylpyrazol-1-yl]ethanone, 1-ACETYL-3(5)-PERFLUOROBUTYL-5(3)-PHENYLPYRAZOLE, 1-(3-(Perfluorobutyl)-5-phenyl-1H-pyrazol-1-yl)ethan-1-one, 959583-92-7, AKOS007930680, 1-Acetyl-3(5)-(perfluorobutyl)-5(3)-phenylpyrazole

Application

1-Acetyl-3-nonafluorobutyl-5-phenylpyrazole is used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its nonafluorobutyl group enhances lipophilicity and metabolic stability, making it valuable for drug discovery. The compound also serves as a ligand or building block in catalytic systems and specialty polymers. Researchers leverage its unique fluorinated properties for designing hydrophobic coatings and advanced materials.

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