Description

5-Bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene (CAS No. 145767-78-8) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₄BrF₅O. This specialized chemical features a bromo-substituted benzene ring with difluoro and trifluoroethoxy functional groups, making it a valuable intermediate for advanced synthetic applications. Its unique structure is ideal for pharmaceutical research, agrochemical development, and materials science. The compound is supplied with rigorous QC validation, including HPLC, NMR, and mass spectrometry to ensure ≥98% purity. Store in a cool, dry place under inert atmosphere to maintain stability.

Properties

• CAS Number: 145767-78-8
• Complexity: 198
• IUPAC Name: 5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene
• InChI: InChI=1S/C8H4BrF5O/c9-4-1-5(10)7(6(11)2-4)15-3-8(12,13)14/h1-2H,3H2
• InChI Key: PKBORPYIKXALHI-UHFFFAOYSA-N
• Exact Mass: 289.93657
• Molecular Formula: C8H4BrF5O
• Molecular Weight: 291.01
• SMILES: C1=C(C=C(C(=C1F)OCC(F)(F)F)F)Br
• Topological: 9.2
• Monoisotopic Mass: 289.93657
• Synonyms: 5-Bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene, 145767-78-8, Benzene, 5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)-, MFCD19237199, SCHEMBL5426463, DTXSID60628880, 5-BROMO-1,3-DIFLUORO-2-(2,2,2-TRIFLUOROETHOCY)BENZENE, AKOS015888477, AS-70259, CS-0187101

Application

5-Bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene serves as a key building block in the synthesis of fluorinated drug candidates, particularly in CNS-targeting pharmaceuticals. Its electron-withdrawing groups make it valuable for Suzuki-Miyaura cross-coupling reactions in medicinal chemistry. The compound is also utilized in the development of liquid crystals and specialty polymers requiring thermal/chemical resistance. Researchers employ it as a precursor for radiolabeling studies due to the bromine substituent’s versatility.

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