Atomfair 1-[5-Phenyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrazol-1-yl]ethanone C17H9F13N2O CAS 511243-93-9

Description

1-[5-Phenyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrazol-1-yl]ethanone (CAS: 511243-93-9) is a high-purity fluorinated pyrazole derivative with the molecular formula C₁₇H₉F₁₃N₂O. This compound features a phenyl group and a tridecafluorohexyl chain attached to a pyrazole core, acetylated at the 1-position. Its unique fluorinated structure imparts exceptional hydrophobicity, chemical stability, and potential surface-modifying properties. Ideal for advanced research in materials science, pharmaceuticals, and specialty chemistry, this compound is rigorously tested for quality and supplied with comprehensive analytical data (NMR, HPLC, MS). Store under inert conditions at recommended temperatures to ensure long-term stability.

Properties

• CAS Number: 511243-93-9
• Complexity: 731
• IUPAC Name: 1-[5-phenyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrazol-1-yl]ethanone
• InChI: InChI=1S/C17H9F13N2O/c1-8(33)32-10(9-5-3-2-4-6-9)7-11(31-32)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h2-7H,1H3
• InChI Key: GBITZRCUJLCGQM-UHFFFAOYSA-N
• Exact Mass: 504.0507290
• Molecular Formula: C17H9F13N2O
• Molecular Weight: 504.24
• SMILES: CC(=O)N1C(=CC(=N1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C2=CC=CC=C2
• Topological: 34.9
• Monoisotopic Mass: 504.0507290
• Synonyms: 1-Acetyl-3(5)-perfluorohexyl-5(3)-phenylpyrazole, 511243-93-9, 1-Acetyl-3-perfluorohexyl-5-phenylpyrazole, 1-[5-phenyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrazol-1-yl]ethanone, 959580-83-7, 1-(3-(Perfluorohexyl)-5-phenyl-1H-pyrazol-1-yl)ethan-1-one, AKOS007930689, 1-Acetyl-3(5)-perfluorohexyl-5(3)-phenyl-1H-pyrazole

Application

This fluorinated pyrazole derivative is primarily used in the development of hydrophobic coatings, surfactants, and specialty polymers due to its perfluoroalkyl chain. It serves as a key intermediate in pharmaceutical research for designing bioactive molecules with enhanced metabolic stability. Additionally, its unique structure makes it valuable in material science for creating low-surface-energy materials and liquid crystal formulations.

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