3-Iodobenzotrifluoride

• CAT Number: L012698
• CAS Number: 401-81-0
• Molecular Formula: C7H4F3I
• Molecular Weight: 272.01
• Purity: ≥95%
• IUPAC Name: 1-iodo-3-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H4F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H
• InChIKey: IGISPMBUGPHLBY-UHFFFAOYSA-N
• SMILES: C1=CC(=CC(=C1)I)C(F)(F)F

3-Iodobenzotrifluoride(CAT: L012698) is an aromatic halogenated compound featuring an iodine atom at the meta (3-) position and a trifluoromethyl (-CF₃) group on the benzene ring. This compound serves as a versatile intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki, Sonogashira, and Heck reactions, where the iodine acts as a reactive leaving group. The electron-withdrawing trifluoromethyl group enhances metabolic stability and modulates the electronic properties of target molecules, making it highly valuable in pharmaceutical, agrochemical, and materials development. 3-Iodobenzotrifluoride is frequently used to construct fluorinated aromatic frameworks in the design of bioactive compounds and functional materials.