Description

1-Acetyl-4-chloro-5-phenyl-3-(trifluoromethyl)-1H-pyrazole (CAS No. 231947-23-2) is a high-purity, heterocyclic organic compound with the molecular formula C₁₂H₈ClF₃N₂O. This specialized pyrazole derivative features a trifluoromethyl group, a chloro substituent, and an acetyl moiety, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. Its IUPAC name is 1-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone. This compound is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring consistency for advanced applications. Ideal for researchers exploring fluorinated heterocycles, agrochemicals, or bioactive molecule development.

Properties

• CAS Number: 231947-23-2
• Complexity: 344
• IUPAC Name: 1-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
• InChI: InChI=1S/C12H8ClF3N2O/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: STPFLWRZLABZIW-UHFFFAOYSA-N
• Exact Mass: 288.0277251
• Molecular Formula: C12H8ClF3N2O
• Molecular Weight: 288.65
• SMILES: CC(=O)N1C(=C(C(=N1)C(F)(F)F)Cl)C2=CC=CC=C2
• Topological: 34.9
• Monoisotopic Mass: 288.0277251
• Synonyms: 231947-23-2, 1-Acetyl-4-chloro-5-phenyl-3-(trifluoromethyl)-1H-pyrazole, 1-Acetyl-4-chloro-5(3)-phenyl-3(5)-(trifluoromethyl)pyrazole, 1-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone, 1-(4-Chloro-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone, 1-[4-Chloro-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone, STPFLWRZLABZIW-UHFFFAOYSA-N, DTXSID501168513, MFCD00153624, AKOS007930779, 808764-29-6, 1-[4-chloro-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one, 1-ACETYL-4-CHLORO-3(5)-TRIFLUOROMETHYL-5(3)-(PHENYL)PYRAZOLE

Application

This compound serves as a versatile building block in medicinal chemistry, particularly for synthesizing trifluoromethyl-substituted pyrazole scaffolds with potential biological activity. It is used in the development of pharmaceutical candidates targeting inflammation or metabolic disorders. Researchers also employ it in agrochemical studies to design novel pesticides or herbicides leveraging its unique halogenated and fluorinated structure.

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