Description

Pentafluoroiodobenzene (CAS No. 827-15-6) is a highly fluorinated aromatic compound with the molecular formula C₆F₅I. This organoiodine reagent is characterized by its five fluorine atoms and one iodine atom attached to a benzene ring, making it a valuable intermediate in synthetic organic chemistry. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-iodobenzene, and it is also known by several synonyms, including Iodopentafluorobenzene and Iodoperfluorobenzene.

With a purity of ≥98%, our Pentafluoroiodobenzene is ideal for nucleophilic substitution reactions, cross-coupling reactions (e.g., Suzuki-Miyaura coupling), and as a precursor for pentafluorophenyl derivatives. The compound is supplied as a clear, colorless to pale yellow liquid with a density of ~2.1 g/cm³ and a boiling point of approximately 168-170°C. It is packaged under inert gas to ensure stability and shipped in amber glass bottles to prevent light degradation.

Key Applications: Fluorinated building block, pharmaceutical intermediates, agrochemical synthesis, and material science research. Store in a cool, dry place away from oxidizing agents and strong bases.

Properties

• CAS Number: 827-15-6
• Complexity: 150
• IUPAC Name: 1,2,3,4,5-pentafluoro-6-iodo-benzene
• InChI: InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9
• InChI Key: OPYHNLNYCRZOGY-UHFFFAOYSA-N
• Exact Mass: 293.89649
• Molecular Formula: C6F5I
• Molecular Weight: 293.96
• SMILES: C1(=C(C(=C(C(=C1F)F)I)F)F)F
• Monoisotopic Mass: 293.89649
• Physical Description: Colorless liquid;
• Synonyms: Iodopentafluorobenzene, Pentafluoroiodobenzene, Benzene, pentafluoroiodo-, Iodoperfluorobenzene, 2,3,4,5,6-Pentafluoroiodobenzene, 1,2,3,4,5-Pentafluoro-6-iodo-benzene, Pentafluorophenyl iodide, Perfluoroiodobenzene, EINECS 212-565-2, DTXSID10231969, NSC 88306, DTXCID90154460, 212-565-2, opyhnlnycrzogy-uhfffaoysa-n, 827-15-6, 1,2,3,4,5-pentafluoro-6-iodobenzene, MFCD00001032, 6FL842U9F2, NSC-88306, C6F5I, IBF, NSC88306, benzene, 1,2,3,4,5-pentafluoro-6-iodo-, Iodopentafluorobenzene, 99%, SCHEMBL664825, UNII-6FL842U9F2, AKOS003788910, CS-W009984, FP75674, FS-4336, PB48094, 1,3,4,5,6-pentafluoro-2-iodobenzene, SY029293, NS00041994, ST45021363, Pentafluoroiodobenzene, stabilized with copper, EN300-115880, Pentafluoroiodobenzene (stabilized with Copper chip), Q27461358, 2,3,4,5,6-Pentafluoroiodobenzene (stabilised with copper)

Application

Pentafluoroiodobenzene is widely used as a fluorinated aryl iodide precursor in cross-coupling reactions, enabling the synthesis of complex polyfluorinated aromatic compounds. It serves as a key reagent in the preparation of liquid crystals and pharmaceutical intermediates due to its electron-withdrawing pentafluorophenyl group. Researchers also employ it in material science for modifying surfaces or creating fluorinated polymers with unique properties.

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]
• H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.8%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.