Description

4-Iodophenylsulfur Pentafluoride (CAS No. 286947-68-0) is a highly specialized organosulfur compound with the molecular formula C₆H₄F₅IS. This chemical is characterized by its unique pentafluorosulfanyl (–SF₅) group attached to a 4-iodophenyl ring, making it a valuable intermediate in advanced synthetic chemistry. Its IUPAC name, pentafluoro-(4-iodophenyl)-λ⁶-sulfane, reflects its precise structural configuration. With a purity grade suitable for research and industrial applications, this compound is supplied in rigorously controlled conditions to ensure optimal stability and performance. Ideal for use in pharmaceuticals, agrochemicals, and materials science, 4-Iodophenylsulfur Pentafluoride offers exceptional reactivity for cross-coupling reactions, fluorination processes, and as a building block for complex molecular architectures.

Properties

• CAS Number: 286947-68-0
• Complexity: 200
• IUPAC Name: pentafluoro-(4-iodophenyl)-lambda6-sulfane
• InChI: InChI=1S/C6H4F5IS/c7-13(8,9,10,11)6-3-1-5(12)2-4-6/h1-4H
• InChI Key: FRYANWYSCROOCU-UHFFFAOYSA-N
• Exact Mass: 329.89986
• Molecular Formula: C6H4F5IS
• Molecular Weight: 330.06
• SMILES: C1=CC(=CC=C1S(F)(F)(F)(F)F)I
• Topological: 1
• Monoisotopic Mass: 329.89986
• Synonyms: 4-Iodophenylsulfur Pentafluoride, 678-569-5, 286947-68-0, 4-Iodophenylsulphur pentafluoride, 1-Iodo-4-(pentafluorosulfanyl)benzene, Sulfur, pentafluoro(4-iodophenyl)-, (OC-6-21)-, 1-Iodo-4-(pentafluorothio)benzene, pentafluoro-(4-iodophenyl)-lambda6-sulfane, 1-iodo-4-(pentafluoro-lambda~6~-sulfanyl)benzene, 4-iodophenylsulfurpentafluoride, MFCD03788514, SCHEMBL472361, DTXSID50381316, FRYANWYSCROOCU-UHFFFAOYSA-N, 1-iodo-4-pentafluorosulfanyl-benzene, BBL103890, SBB054170, STL557700, AKOS005254367, PS-11537, pentafluoro-(4-iodophenyl)-^{6-sulfane, CS-0207246, I0695, T72228

Application

4-Iodophenylsulfur Pentafluoride is widely utilized in organic synthesis as a versatile reagent for introducing the pentafluorosulfanyl (–SF₅) group into aromatic systems. Its applications include serving as a key intermediate in the development of pharmaceuticals, agrochemicals, and specialty materials. The compound is particularly valuable in cross-coupling reactions, such as Suzuki-Miyaura and Sonogashira couplings, due to the reactivity of its iodine substituent. Researchers also employ it in the synthesis of high-performance polymers and liquid crystals, where the –SF₅ group enhances thermal and chemical stability.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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