Description

1-Acetyl-4-bromo-3-trifluoromethyl-5-methylpyrazole (CAS No. 229980-59-0) is a high-purity, heterocyclic organic compound with the molecular formula C₇H₆BrF₃N₂O. This specialized pyrazole derivative features a bromo-substitution at the 4-position, a trifluoromethyl group at the 3-position, and a methyl group at the 5-position, with an acetyl moiety at the 1-position. Its precise molecular structure, confirmed by NMR and mass spectrometry, makes it an ideal intermediate for advanced synthetic applications. Suitable for research and industrial use, this compound is supplied in sealed containers under inert gas to ensure stability and longevity. Store in a cool, dry place away from light and moisture to maintain optimal purity.

Properties

• CAS Number: 229980-59-0
• Complexity: 246
• IUPAC Name: 1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
• InChI: InChI=1S/C7H6BrF3N2O/c1-3-5(8)6(7(9,10)11)12-13(3)4(2)14/h1-2H3
• InChI Key: KLKPLRILKDZPGX-UHFFFAOYSA-N
• Exact Mass: 269.96156
• Molecular Formula: C7H6BrF3N2O
• Molecular Weight: 271.03
• SMILES: CC1=C(C(=NN1C(=O)C)C(F)(F)F)Br
• Topological: 34.9
• Monoisotopic Mass: 269.96156
• Synonyms: 229980-59-0, 1-Acetyl-4-bromo-5(3)-methyl-3(5)-(trifluoromethyl)pyrazole, 1-acetyl-4-bromo-3-trifluoromethyl-5-methylpyrazole, 1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone, 1-acetyl-4-bromo-3(5)-trifluoromethyl-5(3)-(methyl)pyrazole, 1-Acetyl-4-bromo-5(3)-methyl-3(5)-trifluoromethyl pyrazole, 1-Acetyl-4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole, 1-(4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-one, 808764-23-0, 1-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one, MFCD00153618, KLKPLRILKDZPGX-UHFFFAOYSA-N, 1-acetyl-4-bromo-5(3)-methyl-3(5)-trifluoromethylpyrazole, AKOS007930733, FS-5214, ST51041745, 1-Acetyl-4-bromo-3(5)-trimethyl-5(3)-methylpyrazole, 1-acetyl-4-bromo-5-methyl-3-(trifluoromethyl)pyrazole, 1-Acetyl-4-bromo-3(5)-trifluoromethyl-5(3)-methylpyrazole

Application

1-Acetyl-4-bromo-3-trifluoromethyl-5-methylpyrazole is primarily used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its reactive bromo and acetyl groups facilitate further functionalization, making it valuable for cross-coupling reactions and heterocyclic chemistry. Researchers employ this compound in the development of novel trifluoromethylated pyrazole derivatives with potential biological activity. It is also utilized in material science for designing fluorinated polymers and ligands.

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