Description
4-Fluoro-1-iodo-2-(trifluoromethyl)benzene (CAS No. 41860-65-5) is a high-purity fluorinated aromatic compound with the molecular formula C7H3F4I. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and material science due to its unique reactivity and structural properties. The compound features a benzene ring substituted with fluorine, iodine, and a trifluoromethyl group, making it a versatile building block for cross-coupling reactions, nucleophilic substitutions, and other advanced synthetic transformations.
Our product is rigorously tested to ensure >98% purity (GC), with detailed analytical data (NMR, MS) available upon request. Supplied in amber glass vials under inert atmosphere to ensure stability, it is ideal for researchers requiring precise and reliable reagents for demanding applications.
Properties
- CAS Number: 41860-65-5
- Complexity: 156
- IUPAC Name: 4-fluoro-1-iodo-2-(trifluoromethyl)benzene
- InChI: InChI=1S/C7H3F4I/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H
- InChI Key: NEFPMXMCSCGJLD-UHFFFAOYSA-N
- Exact Mass: 289.92156
- Molecular Formula: C7H3F4I
- Molecular Weight: 290.00
- SMILES: C1=CC(=C(C=C1F)C(F)(F)F)I
- Monoisotopic Mass: 289.92156
- Synonyms: 4-fluoro-1-iodo-2-(trifluoromethyl)benzene, 41860-65-5, 5-Fluoro-2-iodobenzotrifluoride, SCHEMBL1363828, DTXSID10660018, MFCD07369008, AKOS022171857, FS-3973, s11453, DB-229094, CS-0452298, EN300-646069
Application
4-Fluoro-1-iodo-2-(trifluoromethyl)benzene serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, agrochemicals, and liquid crystal materials. Its iodine moiety enables participation in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck), while the electron-withdrawing trifluoromethyl group enhances reactivity in nucleophilic aromatic substitutions. The compound is particularly valuable in medicinal chemistry for constructing fluorinated bioactive scaffolds.
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