Description

4-Fluoroiodobenzene (CAS No. 352-34-1) is a high-purity halogenated aromatic compound with the molecular formula C₆H₄FI. This organoiodine reagent, also known by its IUPAC name 1-fluoro-4-iodobenzene, features a fluorine atom and an iodine atom in para positions on the benzene ring, making it a versatile building block for synthetic organic chemistry. The compound is supplied as a clear to pale yellow liquid with exceptional purity (>98%) suitable for nucleophilic substitution reactions, cross-coupling reactions (e.g., Suzuki, Stille, or Sonogashira couplings), and as a precursor for pharmaceuticals and advanced materials. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability. All batches are QC-verified by GC-MS and NMR spectroscopy.

Properties

• CAS Number: 352-34-1
• Complexity: 66.9
• IUPAC Name: 1-fluoro-4-iodo-benzene
• InChI: InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H
• InChI Key: KGNQDBQYEBMPFZ-UHFFFAOYSA-N
• Exact Mass: 221.93418
• Molecular Formula: C6H4FI
• Molecular Weight: 222.00
• SMILES: C1=CC(=CC=C1F)I
• Monoisotopic Mass: 221.93418
• Synonyms: 4-Fluoroiodobenzene, 1-FLUORO-4-IODOBENZENE, p-Fluoroiodobenzene, Benzene, 1-fluoro-4-iodo-, 4-fluoro-1-iodobenzene, 1-IODO-4-FLUOROBENZENE, H2Z2C5X7RW, NSC-10280, benzene, 1-fluoro-4-iodo, DTXSID7059854, DTXCID0038960, 206-522-7, inchi=1/c6h4fi/c7-5-1-3-6(8)4-2-5/h1-4, kgnqdbqyebmpfz-uhfffaoysa-n, 352-34-1, 4-Iodofluorobenzene, p-Iodofluorobenzene, MFCD00001052, 1-fluoranyl-4-iodanyl-benzene, 1-Fluoro-4-iodobenzene (stabilized with Copper chip), 4-Fluoro-iodobenzene, 1-fluoro-4-iodo-benzene, 4-fluroiodobenzene, NSC4662, 4-flouroiodobenzene, EINECS 206-522-7, 4-iodo-fluorobenzene, NSC 10280, 1-fluoro4-iodobenzene, 1-Fluor-4-jod-benzol, 4-fluoro-1-iodo-benzene, 1-Iodo-4-fluoro-benzene, UNII-H2Z2C5X7RW, 4-Fluoroiodobenzene, 99%, SCHEMBL1216, SCHEMBL1131671, SCHEMBL7498491, CS-D1411, NSC-4662, NSC10280, SBB096227, AKOS005258233, AC-9717, GS-6799, SB66336, SY001127, DB-027416, F0237, NS00042105, EN300-54342, F0001-1020, Y8D

Application

4-Fluoroiodobenzene serves as a key intermediate in pharmaceutical synthesis, particularly for fluorinated active pharmaceutical ingredients (APIs). The compound is widely used in palladium-catalyzed cross-coupling reactions to create biaryl structures in medicinal chemistry. Researchers also employ it as a fluorinated building block in materials science for liquid crystals and organic electronic materials. The iodine moiety provides an excellent handle for further functionalization through metal-catalyzed reactions.

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 (98%): 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 (98%)

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