Description

Ethyl difluoro(iodo)acetate (CAS No. 7648-30-8) is a highly specialized fluorinated organic compound with the molecular formula C₄H₅F₂IO₂. Also known as ethyl 2,2-difluoro-2-iodoacetate, this reagent is widely utilized in synthetic organic chemistry and pharmaceutical research due to its unique reactivity as an electrophilic difluoromethylation agent. The compound features an iodine substituent adjacent to a difluoroacetate ester group, making it a versatile building block for the introduction of difluoromethyl motifs into target molecules. Its high purity grade ensures optimal performance in demanding applications such as nucleophilic substitutions, cross-coupling reactions, and radical-mediated transformations. Packaged under inert conditions to maintain stability, this product is ideal for researchers seeking reliable and efficient fluorination strategies.

Properties

• CAS Number: 7648-30-8
• Complexity: 115
• IUPAC Name: ethyl 2,2-difluoro-2-iodo-acetate
• InChI: InChI=1S/C4H5F2IO2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
• InChI Key: HGWXXIZVRRTDKT-UHFFFAOYSA-N
• Exact Mass: 249.93023
• Molecular Formula: C4H5F2IO2
• Molecular Weight: 249.98
• SMILES: CCOC(=O)C(F)(F)I
• Topological: 26.3
• Monoisotopic Mass: 249.93023
• Synonyms: ETHYL DIFLUORO(IODO)ACETATE, 671-653-2, Ethyl iododifluoroacetate, 7648-30-8, ethyl 2,2-difluoro-2-iodoacetate, ethyliododifluoroacetate, ETHYL DIFLUOROIODOACETATE, MFCD00798135, C4H5F2IO2, ICF2CO2Et, SCHEMBL123913, Ethyl difluoroiodoacetate, 95%, DTXSID00371909, ethyl 2-iodo-2,2-difluoroacetate, FD2095, SBB100668, AKOS002664192, AS-48931, SY040928, DB-001376, CS-0113019, A26038, EN300-123491, Difluoroiodoacetic acid ethyl ester;Ethyldifluoroiodoacetate

Application

Ethyl difluoro(iodo)acetate serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals, enabling the incorporation of difluoromethyl groups into complex molecular architectures. It is particularly valuable in palladium-catalyzed cross-coupling reactions and nucleophilic substitutions for constructing C-CF₂ bonds. Researchers also employ this reagent in radical chemistry to generate difluoromethyl radicals under mild conditions. Its applications extend to materials science, where it aids in the development of fluorinated polymers with enhanced 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 (100%): 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 (100%)

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