Description

1,2-Difluoro-4-iodobenzene (CAS No. 64248-58-4) is a high-purity halogenated aromatic compound with the molecular formula C₆H₃F₂I. This specialty chemical is characterized by its unique structure featuring two fluorine atoms and an iodine atom on a benzene ring, making it a valuable intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 239.99 g/mol, it is supplied as a clear to pale-yellow liquid or crystalline solid, ensuring optimal reactivity for cross-coupling reactions such as Suzuki-Miyaura or Ullmann-type couplings. Ideal for researchers in medicinal chemistry and material science, our product is rigorously tested for purity (typically ≥97% by GC or HPLC) and packaged under inert conditions to ensure stability. Available in quantities ranging from grams to kilograms, it is suitable for both lab-scale experimentation and industrial-scale applications.

Properties

• CAS Number: 64248-58-4
• Complexity: 97.1
• IUPAC Name: 1,2-difluoro-4-iodo-benzene
• InChI: InChI=1S/C6H3F2I/c7-5-2-1-4(9)3-6(5)8/h1-3H
• InChI Key: KSASJELKLBIMSG-UHFFFAOYSA-N
• Exact Mass: 239.92475
• Molecular Formula: C6H3F2I
• Molecular Weight: 239.99
• SMILES: C1=CC(=C(C=C1I)F)F
• Monoisotopic Mass: 239.92475
• Synonyms: 1,2-Difluoro-4-iodobenzene, 3,4-Difluoroiodobenzene, 64248-58-4, DTXSID90369133, DTXCID50320169, 613-520-3, ksasjelklbimsg-uhfffaoysa-n, 1,2-Difluoro-4-iodo-benzene, MFCD00044630, 3,4-difluoro iodobenzene, Benzene, 1,2-difluoro-4-iodo-, 3,4-difluoro-iodobenzene, 3,4-difluoro-1-iodobenzene, SCHEMBL80458, 1-iodo-3,4-difluoro-benzene, 3,4-Difluoroiodobenzene, 98%, SBB099185, AKOS005254305, AC-4467, CS-W009481, PS-10245, SY029292, DB-002364, D2560, EN300-141491, 1,2-Difluoro-4-iodobenzene (stabilized with Copper chip)

Application

1,2-Difluoro-4-iodobenzene serves as a versatile building block in the synthesis of fluorinated pharmaceuticals, agrochemicals, and liquid crystals. Its iodine moiety facilitates palladium-catalyzed cross-coupling reactions, enabling the introduction of difluorophenyl groups into complex molecules. Researchers utilize this compound to develop PET radiotracers and bioactive molecules targeting CNS disorders. It is also employed in material science for creating fluorinated polymers with enhanced thermal and chemical resistance.

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