Description
2-Bromo-4-fluorothioanisole (CAS No. 91524-70-8) is a high-purity organosulfur compound with the molecular formula C7H6BrFS. This aromatic thioether features a bromine substituent at the 2-position and a fluorine at the 4-position of the benzene ring, making it a valuable intermediate in synthetic organic chemistry. Its IUPAC name, 2-bromo-4-fluoro-1-methylsulfanylbenzene, reflects its precise structural configuration. The compound is supplied as a clear to pale yellow liquid (or solid, depending on storage conditions) with >95% purity (GC), ideal for pharmaceutical, agrochemical, and materials science research. Proper storage under inert atmosphere at 2-8°C is recommended to prevent degradation. Available in 1g, 5g, 10g, and custom bulk quantities with optional NMR and HPLC analytical reports.
Properties
- CAS Number: 91524-70-8
- Complexity: 110
- IUPAC Name: 2-bromo-4-fluoro-1-methylsulfanyl-benzene
- InChI: InChI=1S/C7H6BrFS/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
- InChI Key: XQGBAFLNAQHQNY-UHFFFAOYSA-N
- Exact Mass: 219.93576
- Molecular Formula: C7H6BrFS
- Molecular Weight: 221.09
- SMILES: CSC1=C(C=C(C=C1)F)Br
- Topological: 25.3
- Monoisotopic Mass: 219.93576
- Synonyms: 2-Bromo-4-fluorothioanisole, 91524-70-8, (2-Bromo-4-fluorophenyl)(methyl)sulfane, 2-bromo-4-fluoro-1-methylsulfanylbenzene, 2-bromo-4-fluoro-1-methylsulfanyl-benzene, 2-bromo-4-fluoro-1-(methylsulfanyl)benzene, MFCD09801042, SCHEMBL2714643, SCHEMBL28999342, DTXSID50449682, XQGBAFLNAQHQNY-UHFFFAOYSA-N, BBL104064, GEO-04054, SBB096087, STL557878, 2-bromo-4-fluoro-1-methylthiobenzene, AKOS015835307, 2-Bromo-4-fluoro-1-(methylthio)benzene, AC-30574, AS-39203, CS-0186041
Application
2-Bromo-4-fluorothioanisole serves as a versatile building block in Suzuki coupling reactions for creating biaryl structures in drug discovery. Its electron-withdrawing halogen substituents make it particularly useful in palladium-catalyzed cross-coupling reactions to synthesize fluorinated liquid crystals or agrochemical intermediates. Researchers also employ this compound to study structure-activity relationships in medicinal chemistry due to its thioether moiety’s metabolic stability.
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.
Reviews
There are no reviews yet.