Description

Phenyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-5-(trifluoromethyl)pyrazol-1-yl]methanone (CAS No. 231301-26-1) is a highly fluorinated pyrazole derivative designed for advanced research and industrial applications. With the molecular formula C₁₇H₆F₁₆N₂O, this compound features a unique perfluorohexyl chain and a trifluoromethyl group, offering exceptional chemical stability and hydrophobic properties. Ideal for materials science, pharmaceuticals, and agrochemical research, it serves as a key intermediate in the synthesis of fluorinated compounds. Available in high purity (>98%), this product is rigorously tested by HPLC and NMR to ensure consistency and reliability for demanding applications.

Properties

• CAS Number: 231301-26-1
• Complexity: 814
• IUPAC Name: phenyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-5-(trifluoromethyl)pyrazol-1-yl]methanone
• InChI: InChI=1S/C17H6F16N2O/c18-11(19,13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)33)8-6-9(12(20,21)22)35(34-8)10(36)7-4-2-1-3-5-7/h1-6H
• InChI Key: MTOQTIXWJHGJIQ-UHFFFAOYSA-N
• Exact Mass: 558.0224634
• Molecular Formula: C17H6F16N2O
• Molecular Weight: 558.22
• SMILES: C1=CC=C(C=C1)C(=O)N2C(=CC(=N2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(F)(F)F
• Topological: 34.9
• Monoisotopic Mass: 558.0224634
• Synonyms: 231301-26-1, 1-Benzoyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole, Phenyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-5-(trifluoromethyl)pyrazol-1-yl]methanone, 1-Benzoyl-5(3)-(perfluorohexyl)-3(5)-(trifluoromethyl)pyrazole, 1H-Pyrazole, 1-benzoyl-3(or 5)-(tridecafluorohexyl)-5(or 3)-(trifluoromethyl)- (9CI), MFCD01075249, AKOS007930721, NS00110002, 1-Benzoyl-3(5)-(tridecafluoro-1-hexyl)-5(3)-(trifluoromethyl)pyrazole

Application

This fluorinated pyrazole derivative is widely used as a building block in the development of specialty chemicals, including pharmaceuticals, agrochemicals, and advanced materials. Its perfluoroalkyl groups enhance lipophilicity and metabolic stability, making it valuable in drug discovery. Additionally, it serves as a key intermediate in synthesizing fluorinated polymers and surfactants for high-performance coatings and electronics.

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