Description

1-Acetyl-3-heptafluoropropyl-5-methyl-4-nitropyrazole (CAS: 244033-12-3) is a high-purity fluorinated pyrazole derivative with the molecular formula C₉H₆F₇N₃O₃. This specialized compound features a heptafluoropropyl group, acetyl moiety, and nitro functionality, making it a valuable intermediate for advanced synthetic applications. Its IUPAC name is 1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-4-nitropyrazol-1-yl]ethanone. Ideal for researchers in medicinal chemistry, agrochemical development, and materials science, this product is rigorously tested for consistency and purity. Available in customizable quantities with detailed analytical reports (NMR, HPLC, MS) upon request.

Properties

• CAS Number: 244033-12-3
• Complexity: 476
• IUPAC Name: 1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-4-nitro-pyrazol-1-yl]ethanone
• InChI: InChI=1S/C9H6F7N3O3/c1-3-5(19(21)22)6(17-18(3)4(2)20)7(10,11)8(12,13)9(14,15)16/h1-2H3
• InChI Key: CAOXNZNEAYAANN-UHFFFAOYSA-N
• Exact Mass: 337.02973820
• Molecular Formula: C9H6F7N3O3
• Molecular Weight: 337.15
• SMILES: CC1=C(C(=NN1C(=O)C)C(C(C(F)(F)F)(F)F)(F)F)[N+](=O)[O-]
• Topological: 80.7
• Monoisotopic Mass: 337.02973820
• Synonyms: 244033-12-3, 1-Acetyl-3(5)-heptafluoropropyl-5(3)-methyl-4-nitropyrazole, 1-Acetyl-3-heptafluoropropyl-5-methyl-4-nitropyrazole, 1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-4-nitropyrazol-1-yl]ethanone, 1-ACETYL-3(5)-(HEPTAFLUORO-1-PROPYL)-5(3)-METHYL-4-(NITRO)PYRAZOLE, 1-Acetyl-3(5)-(heptafluoropropyl)-5(3)-methyl-4-nitropyrazole, MFCD00153625, AKOS007930781, 1-(5-Methyl-4-nitro-3-(perfluoropropyl)-1H-pyrazol-1-yl)ethanone

Application

This fluorinated nitropyrazole derivative is primarily used as a key intermediate in the synthesis of bioactive molecules, particularly in pharmaceutical and agrochemical research. Its unique structure enables applications in the development of fluorinated heterocycles for drug discovery and crop protection agents. The compound may also serve as a precursor for advanced materials, such as liquid crystals or energetic materials, due to its nitro and heptafluoropropyl functionalities.

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