Description

Ethyl difluoroacetate (CAS 454-31-9) is a high-purity fluorinated ester compound with the molecular formula C₄H₆F₂O₂. This versatile reagent is widely used in organic synthesis, pharmaceutical research, and materials science due to its unique difluoroacetate functionality. With a purity of 97% or higher, our product meets stringent quality standards for laboratory and industrial applications. The compound is supplied as a clear, colorless liquid with a characteristic ester odor, packaged under inert conditions to ensure stability. Its molecular weight of 124.09 g/mol and well-characterized physicochemical properties make it an essential building block for introducing difluoromethyl groups into target molecules. Ideal for nucleophilic substitution reactions, cross-coupling chemistry, and as a precursor for more complex fluorinated compounds.

Properties

• CAS Number: 454-31-9
• Complexity: 82.1
• IUPAC Name: ethyl 2,2-difluoroacetate
• InChI: InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
• InChI Key: GZKHDVAKKLTJPO-UHFFFAOYSA-N
• Exact Mass: 124.03358575
• Molecular Formula: C4H6F2O2
• Molecular Weight: 124.09
• SMILES: CCOC(=O)C(F)F
• Topological: 26.3
• Monoisotopic Mass: 124.03358575
• Synonyms: ETHYL DIFLUOROACETATE, 454-31-9, Acetic acid, difluoro-, ethyl ester, Acetic acid, 2,2-difluoro-, ethyl ester, EINECS 207-223-4, DTXSID0060010, EC 207-223-4, DTXCID1040409, 207-223-4, ethyl 2,2-difluoroacetate, ethyldifluoroacetate, Difluoroacetic Acid Ethyl Ester, difluoro-acetic acid ethyl ester, MFCD00013578, Ethyl difluoroacetic, ETHYL DIFLUORO ACETATE, ethyl difluroacetate, A3R5VZ4KWN, Difluoro-aceticaciethylester, Ethyl difluoroacetate, 97%, SCHEMBL238384, SCHEMBL2721065, SCHEMBL17911644, GZKHDVAKKLTJPO-UHFFFAOYSA-, 2,2-Difluoroacetic acid ethyl ester, BBL027798, FD2077, STK292392, AKOS000310040, CS-W013535, MS-20041, DB-051300, D2498, NS00005984, EN300-35673, F8880-6244, Z361436550, InChI=1/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

Ethyl difluoroacetate serves as a key intermediate in pharmaceutical synthesis, particularly for introducing fluorine atoms into drug candidates to enhance metabolic stability. In material science, it’s used to create fluorinated polymers with improved chemical resistance. The compound also finds application as a specialty solvent in electronic-grade cleaning formulations and as a precursor for agrochemical production.

Safety and Hazards

GHS Hazard Statements

• H225 (71.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H226 (28.7%): Flammable liquid and vapor [Warning Flammable liquids]
• H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (70.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H411 (71.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P391, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (71.3%)
• Flam. Liq. 3 (28.7%)
• Skin Corr. 1B (98%)
• Eye Dam. 1 (70.8%)
• Aquatic Chronic 2 (71.3%)

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