Description

4-Iodophenyl trifluoromethanesulfonate (CAS No. 109586-39-2) is a high-purity organic compound with the molecular formula C₇H₄F₃IO₃S. This reagent is widely used in synthetic chemistry as a versatile triflate ester, particularly in cross-coupling reactions such as Suzuki, Stille, and Negishi couplings. The presence of both an iodine substituent and a trifluoromethanesulfonate (triflate) group makes it a valuable electrophile for constructing complex aromatic frameworks. Our product is rigorously tested for purity (typically ≥95% by HPLC or GC) and is supplied in moisture-resistant packaging to ensure stability. Ideal for pharmaceutical intermediates, material science research, and advanced organic synthesis.

Properties

• CAS Number: 109586-39-2
• Complexity: 300
• IUPAC Name: (4-iodophenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C7H4F3IO3S/c8-7(9,10)15(12,13)14-6-3-1-5(11)2-4-6/h1-4H
• InChI Key: PUSVLEDDCGLWNP-UHFFFAOYSA-N
• Exact Mass: 351.88780
• Molecular Formula: C7H4F3IO3S
• Molecular Weight: 352.07
• SMILES: C1=CC(=CC=C1OS(=O)(=O)C(F)(F)F)I
• Topological: 51.8
• Monoisotopic Mass: 351.88780
• Synonyms: 4-iodophenyl trifluoromethanesulfonate, 109586-39-2, 4-Iodophenyl triflate, MFCD18379773, (4-iodophenyl) trifluoromethanesulfonate, 4-iodophenyltriflate, SCHEMBL3395379, PUSVLEDDCGLWNP-UHFFFAOYSA-N, 4-iodophenyltrifluoromethanesulfonate, AKOS037644109, AS-44634, SY261080, CS-0196502, trifluoro-methanesulfonic acid 4-iodo-phenyl-ester

Application

4-Iodophenyl trifluoromethanesulfonate serves as a key building block in palladium-catalyzed cross-coupling reactions to form biaryl structures. It is particularly useful in synthesizing liquid crystals and OLED materials due to its electron-withdrawing triflate group. Researchers also employ it in nucleophilic aromatic substitution reactions to introduce diverse functional groups at the para position.

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