Description

1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole (CAS No. 231947-18-5) is a high-purity fluorinated pyrazole derivative with the molecular formula C₁₄H₈ClF₇N₂O. This compound features a unique heptafluoropropyl group and a phenyl substituent, making it a valuable intermediate for advanced synthetic applications. Its IUPAC name is 1-[4-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-phenylpyrazol-1-yl]ethanone, and it is also known under synonyms such as MFCD00153621. Suitable for researchers in medicinal chemistry, agrochemical development, and material science, this product is rigorously tested for quality and consistency. Available in various quantities with detailed analytical data (NMR, HPLC, MS) upon request.

Properties

• CAS Number: 231947-18-5
• Complexity: 508
• IUPAC Name: 1-[4-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-phenyl-pyrazol-1-yl]ethanone
• InChI: InChI=1S/C14H8ClF7N2O/c1-7(25)24-10(8-5-3-2-4-6-8)9(15)11(23-24)12(16,17)13(18,19)14(20,21)22/h2-6H,1H3
• InChI Key: JMOOZLCLDFNQRB-UHFFFAOYSA-N
• Exact Mass: 388.0213377
• Molecular Formula: C14H8ClF7N2O
• Molecular Weight: 388.67
• SMILES: CC(=O)N1C(=C(C(=N1)C(C(C(F)(F)F)(F)F)(F)F)Cl)C2=CC=CC=C2
• Topological: 34.9
• Monoisotopic Mass: 388.0213377
• Synonyms: 231947-18-5, 1-Acetyl-4-chloro-3(5)-heptafluoropropyl-5(3)-phenylpyrazole, 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole, 1-[4-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-phenylpyrazol-1-yl]ethanone, MFCD00153621, AKOS007930740, 1-ACETYL-4-CHLORO-3(5)-(HEPTAFLUORO-1-PROPYL)-5(3)-(PHENYL)PYRAZOLE

Application

This fluorinated pyrazole derivative is primarily used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its unique structure enables applications in the development of bioactive molecules, particularly in drug discovery for targeting enzyme inhibition or receptor modulation. Researchers also utilize it in the design of advanced materials with tailored fluorophilic properties for coatings or sensors.

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