Description

1-Acetyl-3-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole (CAS No. 229980-58-9) is a high-purity, fluorinated pyrazole derivative designed for advanced research and industrial applications. This compound, with the molecular formula C₇H₆F₃N₃O₃, features a unique trifluoromethyl group and nitro functionality, making it a valuable intermediate in pharmaceutical synthesis, agrochemical development, and material science. Our product is rigorously tested for quality, ensuring ≥98% purity by HPLC, and is supplied in sealed packaging under inert conditions to guarantee stability. Ideal for researchers seeking precision in heterocyclic chemistry, this pyrazole derivative is also available in custom quantities and formulations to meet specialized project requirements.

Properties

• CAS Number: 229980-58-9
• Complexity: 314
• IUPAC Name: 1-[3-methyl-4-nitro-5-(trifluoromethyl)pyrazol-1-yl]ethanone
• InChI: InChI=1S/C7H6F3N3O3/c1-3-5(13(15)16)6(7(8,9)10)12(11-3)4(2)14/h1-2H3
• InChI Key: BZTAPLFYRDPBPB-UHFFFAOYSA-N
• Exact Mass: 237.03612555
• Molecular Formula: C7H6F3N3O3
• Molecular Weight: 237.14
• SMILES: CC1=NN(C(=C1[N+](=O)[O-])C(F)(F)F)C(=O)C
• Topological: 80.7
• Monoisotopic Mass: 237.03612555
• Synonyms: 1017793-88-2, 1-Acetyl-3-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole, 1-(3-Methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone, 229980-58-9, 1-[3-methyl-4-nitro-5-(trifluoromethyl)pyrazol-1-yl]ethanone, 1-Acetyl-5(3)-methyl-4-nitro-3(5)-(trifluoromethyl)pyrazole, 1-[3-Methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one, 1-(3-Methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-one, MFCD01320690, DTXSID20654049, SBB098746, AKOS007930662, PS-6443, CS-0316744, 1-acetyl-3-methyl-4-nitro-5-(trifluoromethyl)pyrazole, 1-[3-Methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one, 1-Ethanoyl-3-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole

This compound serves as a versatile building block in medicinal chemistry for the synthesis of fluorinated heterocycles with potential bioactivity. It is particularly useful in the development of novel agrochemicals due to its trifluoromethyl group, which enhances lipophilicity and metabolic stability. Researchers also utilize it in material science for designing fluorinated polymers with unique properties.

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