Atomfair 4-bromo-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole C12H6BrF7N2 CAS 82633-52-1

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.

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.