Description

1-Acetyl-4-bromo-5(3)-phenyl-3(5)-(trifluoromethyl)pyrazole (CAS No. 231955-60-5) is a high-purity, specialized heterocyclic compound with the molecular formula C₁₂H₈BrF₃N₂O. Its IUPAC name is 1-[4-bromo-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone. This pyrazole derivative features a bromo-substituted phenyl ring and a trifluoromethyl group, making it a valuable intermediate for synthetic organic chemistry and pharmaceutical research. The compound is rigorously tested for purity and stability, ensuring optimal performance in advanced applications. Suitable for researchers and scientists in medicinal chemistry, agrochemical development, and material science.

Properties

• CAS Number: 231955-60-5
• Complexity: 344
• IUPAC Name: 1-[4-bromo-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
• InChI: InChI=1S/C12H8BrF3N2O/c1-7(19)18-10(8-5-3-2-4-6-8)9(13)11(17-18)12(14,15)16/h2-6H,1H3
• InChI Key: HIKPALQVTURLLD-UHFFFAOYSA-N
• Exact Mass: 331.97721
• Molecular Formula: C12H8BrF3N2O
• Molecular Weight: 333.10
• SMILES: CC(=O)N1C(=C(C(=N1)C(F)(F)F)Br)C2=CC=CC=C2
• Topological: 34.9
• Monoisotopic Mass: 331.97721
• Synonyms: 1-Acetyl-4-bromo-5(3)-phenyl-3(5)-(trifluoromethyl)pyrazole, 808764-25-2, 231955-60-5, 1-Acetyl-4-bromo-5-phenyl-3-(trifluoromethyl)pyrazole, 1-(4-Bromo-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-one, 1-[4-bromo-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone, AKOS007930734

Application

This compound serves as a versatile building block in the synthesis of pharmaceuticals, particularly in the development of bioactive pyrazole derivatives. It is useful in cross-coupling reactions for creating novel trifluoromethyl-containing compounds. Researchers also employ it in agrochemical studies to explore potential pesticidal or herbicidal activity. Its unique structure enables applications in material science for designing functionalized polymers or ligands.

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