Description

4-Chloro-2-fluoro-1-iodobenzene (CAS No. 6797-79-1) is a high-purity halogenated aromatic compound with the molecular formula C₆H₃ClFI. This specialty chemical is a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring chloro, fluoro, and iodo substituents on a benzene ring, enables selective functionalization for the development of complex molecules. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers under inert gas to maintain stability. Ideal for cross-coupling reactions, such as Suzuki-Miyaura or Ullmann-type couplings, due to the reactive iodine moiety. Suitable for use in medicinal chemistry, material science, and as a building block for liquid crystals or OLED materials. Available in gram to kilogram quantities with customizable packaging options.

Properties

• CAS Number: 6797-79-1
• Complexity: 99.1
• IUPAC Name: 4-chloro-2-fluoro-1-iodo-benzene
• InChI: InChI=1S/C6H3ClFI/c7-4-1-2-6(9)5(8)3-4/h1-3H
• InChI Key: RSTFBOIFYXJIMR-UHFFFAOYSA-N
• Exact Mass: 255.89520
• Molecular Formula: C6H3ClFI
• Molecular Weight: 256.44
• SMILES: C1=CC(=C(C=C1Cl)F)I
• Monoisotopic Mass: 255.89520
• Synonyms: 6797-79-1, 4-Chloro-2-fluoro-1-iodobenzene, RSTFBOIFYXJIMR-UHFFFAOYSA-, DTXSID00987367, DTXCID501414532, 614-191-9, inchi=1/c6h3clfi/c7-4-1-2-6(9)5(8)3-4/h1-3h, 4-Chloro-2-fluoroiodobenzene, 2-fluoro-4-chloroiodobenzene, 1-chloro-3-fluoro-4-iodobenzene, 4-chloro-2-fluoro-1-iodo-benzene, 6997-79-1, MFCD00079729, 4-CHLORO-2-FLUORO-IODOBENZENE, 2-iodo-5-chlorofluorobenzene, 3-fluoro-4-iodochlorobenzene, SCHEMBL121913, 2-iodo-5-chlorofluoro benzene, CHEMBL2263228, RSTFBOIFYXJIMR-UHFFFAOYSA-N, 4-Chloro-2-fluoroiodobenzene, 98%, SBB101763, AKOS009157520, CS-W014081, AS-19881, SY020722, DB-055092, DB-228053, EN300-205609

Application

4-Chloro-2-fluoro-1-iodobenzene serves as a versatile precursor in pharmaceutical synthesis, enabling the construction of biologically active molecules through halogen-selective reactions. It is particularly useful in palladium-catalyzed cross-coupling reactions to create biphenyl derivatives for drug discovery. The compound’s fluorine moiety enhances metabolic stability in candidate molecules, while the iodine allows for further derivatization. Researchers also employ it in material science for developing advanced aromatic polymers with tailored electronic 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 (95.8%): 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 (95.8%)

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