Description

4-Bromo-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole (CAS No. 82633-52-1) is a high-purity fluorinated pyrazole derivative with the molecular formula C₁₂H₆BrF₇N₂. This compound features a unique heptafluoropropyl group and a phenyl substituent on the pyrazole ring, making it a valuable intermediate for advanced organic synthesis and pharmaceutical research. Its bromine functionality provides a reactive site for further derivatization via cross-coupling reactions. The compound is supplied as a crystalline solid with >95% purity (HPLC), ensuring consistency for research applications. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 82633-52-1
• Complexity: 395
• IUPAC Name: 4-bromo-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1H-pyrazole
• InChI: InChI=1S/C12H6BrF7N2/c13-7-8(6-4-2-1-3-5-6)21-22-9(7)10(14,15)11(16,17)12(18,19)20/h1-5H,(H,21,22)
• InChI Key: CACZUFHSOSHVMU-UHFFFAOYSA-N
• Exact Mass: 389.96026
• Molecular Formula: C12H6BrF7N2
• Molecular Weight: 391.08
• SMILES: C1=CC=C(C=C1)C2=NNC(=C2Br)C(C(C(F)(F)F)(F)F)(F)F
• Topological: 28.7
• Monoisotopic Mass: 389.96026
• Synonyms: 82633-52-1, 4-bromo-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole, 4-Bromo-3-(heptafluoroprop-1-yl)-5-(phenyl)pyrazole, 4-bromo-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1H-pyrazole, 4-Bromo-3(5)-heptafluoropropyl-5(3)-phenylpyrazole, MFCD00153703, DTXSID70896199, AKOS016015236, NS00111464, NS00112381, 4-Bromo-3-(perfluoropropyl)-5-phenyl-1H-pyrazole, 4-bromo-3-(heptafluoro-1-propyl)-5-(phenyl)pyrazole

Application

This fluorinated pyrazole derivative serves as a versatile building block in medicinal chemistry, particularly in the development of bioactive molecules targeting inflammation and CNS disorders. Its electron-withdrawing heptafluoropropyl group enhances metabolic stability, making it useful for pharmacokinetic studies. Researchers also employ it in material science for designing fluorinated polymers with unique surface properties.

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