Description

1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole (CAS No. 231947-20-9) is a highly fluorinated pyrazole derivative with the molecular formula C₁₁H₆F₁₁N₃O₄. This specialized compound features a unique perfluoroalkoxyethyl substituent, making it valuable for advanced research in fluorinated heterocycles. The IUPAC name is 1-[5-methyl-4-nitro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrazol-1-yl]ethanone. With its nitro and acetyl functional groups, this chemical is particularly suited for applications requiring electron-withdrawing properties or as a precursor in the synthesis of fluorinated pharmaceuticals, agrochemicals, or materials science. Available in high purity for research use only.

Properties

• CAS Number: 231947-20-9
• Complexity: 662
• IUPAC Name: 1-[5-methyl-4-nitro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrazol-1-yl]ethanone
• InChI: InChI=1S/C11H6F11N3O4/c1-3-5(25(27)28)6(23-24(3)4(2)26)7(12,9(15,16)17)29-11(21,22)8(13,14)10(18,19)20/h1-2H3
• InChI Key: PMEWGMCLMNHHKM-UHFFFAOYSA-N
• Exact Mass: 453.01826546
• Molecular Formula: C11H6F11N3O4
• Molecular Weight: 453.17
• SMILES: CC1=C(C(=NN1C(=O)C)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)[N+](=O)[O-]
• Topological: 89.9
• Monoisotopic Mass: 453.01826546
• Synonyms: 231947-20-9, 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole, 1-Acetyl-5(3)-methyl-4-nitro-3(5)-perfluoro(1-propoxyethyl)pyrazole, 1-[5-methyl-4-nitro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrazol-1-yl]ethanone, 1-ACetyl-5(3)-methyl-4-nitro-3(5)-[perfluoro(1-propoxyethyl)]pyrazole, 1-(5-Methyl-4-nitro-3-(1,2,2,2-tetrafluoro-1-(perfluoropropoxy)ethyl)-1H-pyrazol-1-yl)ethan-1-one, 808764-30-9, PMEWGMCLMNHHKM-UHFFFAOYSA-N, MFCD00153631, AKOS007930661, 1-ACETYL-3(5)-[TETRAFLUORO-1-(HEPTAFLUORO-1-PROPOXY)ETHYL]-5(3)-METHYL-4-(NITRO)PYRAZOLE

Application

This fluorinated pyrazole derivative is primarily used in research settings as a key intermediate for synthesizing advanced fluorinated compounds. Its unique structure makes it suitable for applications in medicinal chemistry, particularly in the development of bioactive molecules with enhanced metabolic stability. The compound may also serve as a building block for specialty materials requiring fluorine incorporation, such as hydrophobic coatings or high-performance polymers.

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