Description

1-Acetyl-4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS No. 231301-10-3) is a high-purity heterocyclic compound with the molecular formula C₇H₆ClF₃N₂O. This specialized pyrazole derivative features a trifluoromethyl group, acetyl functionality, and chloro-methyl substitution, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. The compound is supplied as a crystalline solid with guaranteed ≥95% purity (HPLC) and is rigorously tested for consistency in batch-to-batch performance. Ideal for nucleophilic substitution reactions, cross-coupling methodologies, and as a building block for agrochemical or medicinal chemistry applications. Packaged under inert gas in amber glass vials to ensure long-term stability.

• IUPAC Name: 1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
• Molecular Weight: 226.58 g/mol
• Storage: 2-8°C under nitrogen atmosphere
• Hazard Codes: Corrosive (GHS05), Irritant (GHS07)

Properties

• CAS Number: 231301-10-3
• Complexity: 246
• IUPAC Name: 1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
• InChI: InChI=1S/C7H6ClF3N2O/c1-3-5(8)6(7(9,10)11)12-13(3)4(2)14/h1-2H3
• InChI Key: NERAROFZQWLXHC-UHFFFAOYSA-N
• Exact Mass: 226.0120750
• Molecular Formula: C7H6ClF3N2O
• Molecular Weight: 226.58
• SMILES: CC1=C(C(=NN1C(=O)C)C(F)(F)F)Cl
• Topological: 34.9
• Monoisotopic Mass: 226.0120750
• Synonyms: 808764-27-4, 1-acetyl-4-chloro-5-methyl-3-(trifluoromethyl)-1h-pyrazole, 1-Acetyl-4-chloro-5(3)-methyl-3(5)-(trifluoromethyl)pyrazole, 231301-10-3, 1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone, 1-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one, 1-(4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-one, 1-Acetyl-4-chloro-5(3)-methyl-3(5)-trifluoromethyl pyrazole, MFCD00153623, DTXSID10370983, NERAROFZQWLXHC-UHFFFAOYSA-N, SBB097019, AKOS007930768, DB-201512, 1-acetyl-4-chloro-5-methyl-3-(trifluoromethyl)pyrazole, 1-acetyl-4-chloro-3(5)-trifluoromethyl-5(3)-(methyl)pyrazole

Application

This trifluoromethylpyrazole derivative serves as a key scaffold in the development of bioactive molecules, particularly in crop protection agents due to its structural similarity to commercial fungicides. Researchers utilize it as a precursor for Suzuki-Miyaura cross-coupling reactions to create diverse pyrazole libraries. The electron-withdrawing trifluoromethyl group enhances its utility in nucleophilic aromatic substitution for pharmaceutical intermediates. In material science, it functions as a ligand precursor for transition metal catalysts.

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