Description

1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole (CAS No. 511243-94-0) is a fluorinated pyrazole derivative with the molecular formula C₁₉H₉F₁₇N₂O. This high-purity compound features a unique perfluorooctyl chain and a phenyl group attached to a pyrazole core, acetylated at the 1-position. Its IUPAC name is 1-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenylpyrazol-1-yl]ethanone. The perfluorinated tail imparts exceptional hydrophobicity and chemical stability, making it valuable for advanced material science applications. This compound is supplied as a white to off-white crystalline solid with ≥95% purity (HPLC). Store under inert atmosphere at 2-8°C to maintain stability. Suitable for research in fluorinated materials, surface modification, and specialty chemical synthesis.

Properties

• CAS Number: 511243-94-0
• Complexity: 910
• IUPAC Name: 1-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-pyrazol-1-yl]ethanone
• InChI: InChI=1S/C19H9F17N2O/c1-8(39)38-10(9-5-3-2-4-6-9)7-11(37-38)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h2-7H,1H3
• InChI Key: FQLGJDPQIDNVKP-UHFFFAOYSA-N
• Exact Mass: 604.0443417
• Molecular Formula: C19H9F17N2O
• Molecular Weight: 604.3
• SMILES: CC(=O)N1C(=CC(=N1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C2=CC=CC=C2
• Topological: 34.9
• Monoisotopic Mass: 604.0443417
• Synonyms: 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole, 511243-94-0, 1-Acetyl-3-perfluorooctyl-5-phenylpyrazole, 959583-89-2, 1-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenylpyrazol-1-yl]ethanone, 1-(3-(Perfluorooctyl)-5-phenyl-1H-pyrazol-1-yl)ethan-1-one, AKOS007930697, 1-Acetyl-3-perfluorooctyl-5-phenyl-1H-pyrazole

Application

This fluorinated pyrazole derivative is primarily used in the development of hydrophobic coatings and surface modifiers due to its perfluorooctyl chain. Researchers employ it as a building block for advanced materials with oil- and water-repellent properties. The compound finds application in specialty polymer synthesis where fluorinated moieties are required. It may also serve as an intermediate for pharmaceuticals or agrochemicals requiring fluorinated scaffolds.

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.