Description

1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole (CAS No. 134947-25-4) is a high-purity fluorinated pyrazole derivative with the molecular formula C₁₂H₆F₆N₂O. This compound features a benzoyl group attached to a pyrazole ring substituted with two trifluoromethyl groups at the 3- and 5-positions, offering unique electronic and steric properties. Ideal for advanced research applications, it is characterized by exceptional stability and reactivity due to its electron-withdrawing trifluoromethyl groups. Suitable for use as a ligand in coordination chemistry, a building block in medicinal chemistry, or a precursor in the synthesis of fluorinated heterocycles. Available in various quantities with ≥95% purity (HPLC), packaged under inert gas to ensure stability and longevity.

Properties

• CAS Number: 134947-25-4
• Complexity: 388
• IUPAC Name: [3,5-bis(trifluoromethyl)pyrazol-1-yl]-phenyl-methanone
• InChI: InChI=1S/C12H6F6N2O/c13-11(14,15)8-6-9(12(16,17)18)20(19-8)10(21)7-4-2-1-3-5-7/h1-6H
• InChI Key: UESSAXBXORIGDD-UHFFFAOYSA-N
• Exact Mass: 308.03843179
• Molecular Formula: C12H6F6N2O
• Molecular Weight: 308.18
• SMILES: C1=CC=C(C=C1)C(=O)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F
• Topological: 34.9
• Monoisotopic Mass: 308.03843179
• Synonyms: 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole, 134947-25-4, [3,5-bis(trifluoromethyl)pyrazol-1-yl]-phenylmethanone, MFCD00153644, 1-benzoyl-3,5-bis(trifluoromethyl)-1H-pyrazole, [3,5-Bis(Trifluoromethyl)-1H-Pyrazol-1-Yl]Phenyl-Methanone, Methanone,[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl-, DTXSID40371064, AKOS007930683, FB95596, DB-042258, [3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl](phenyl)methanone

Application

1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole is widely utilized as a versatile intermediate in pharmaceutical and agrochemical research, particularly in the development of fluorinated bioactive molecules. Its electron-deficient pyrazole core makes it valuable in catalysis and materials science for designing ligands or functionalized polymers. Researchers also employ it in studying structure-activity relationships (SAR) due to its distinct trifluoromethyl substitutions.

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.