Description

Ethyl 2,2-difluoropropanoate (CAS No. 28781-85-3) is a high-purity fluorinated ester with the molecular formula C₅H₈F₂O₂. This specialized chemical is widely utilized in pharmaceutical synthesis, agrochemical production, and advanced material research due to its unique difluorinated structure. With a clear liquid appearance and a molecular weight of 138.11 g/mol, it offers exceptional reactivity as a building block for introducing fluorine into target molecules. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed, nitrogen-purged containers to maintain stability. Ideal for nucleophilic substitution reactions, cross-coupling chemistry, and as a precursor for fluorinated intermediates.

Properties

• CAS Number: 28781-85-3
• Complexity: 112
• IUPAC Name: ethyl 2,2-difluoropropanoate
• InChI: InChI=1S/C5H8F2O2/c1-3-9-4(8)5(2,6)7/h3H2,1-2H3
• InChI Key: ISVLDAIKRGXNCZ-UHFFFAOYSA-N
• Exact Mass: 138.04923582
• Molecular Formula: C5H8F2O2
• Molecular Weight: 138.11
• SMILES: CCOC(=O)C(C)(F)F
• Topological: 26.3
• Monoisotopic Mass: 138.04923582
• Synonyms: 28781-85-3, ethyl 2,2-difluoropropanoate, DTXSID50375614, DTXCID10326642, 674-496-8, 2,2-difluoropropionic acid ethyl ester, Ethyl 2,2-difluoropropionate, Propanoic acid, 2,2-difluoro-, ethyl ester, MFCD06657970, 2,2-Difluoropropionic acid ethylester, ethyl difluoropropionate, 2,2-Difluoro-propionic acid ethyl ester, Ethyl 2,2 difluoropropionate, SCHEMBL776347, SCHEMBL15301624, Difluoropropionic acid ethyl ester, ETHYL2,2-DIFLUOROPROPIONATE, BCP10917, BBL102322, SBB085993, STL556122, AKOS005063331, CS-W004259, FS-3890, PB42465, SY031452, DB-001194, E1350, EN300-200735, Z1201623583

Application

Ethyl 2,2-difluoropropanoate serves as a key fluorinated synthon in pharmaceutical development, particularly for modifying drug candidates to enhance metabolic stability. It finds application in the synthesis of bioactive molecules where fluorine substitution is desired to modulate lipophilicity or binding affinity. The compound is also employed in materials science for creating fluorinated polymers with improved chemical resistance. Researchers value its utility in palladium-catalyzed coupling reactions to construct complex fluorinated architectures.

Safety and Hazards

GHS Hazard Statements

• H226 (81.8%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (90.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (81.8%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (90.9%)

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