Description

Ethyl trifluoroacetate (CAS 383-63-1) is a high-purity fluorinated ester with the molecular formula C₄H₅F₃O₂, widely used in organic synthesis and pharmaceutical applications. This colorless to pale yellow liquid exhibits excellent reactivity as a trifluoromethylating agent and acylating reagent. With a boiling point of 60-62°C and density of 1.195 g/mL at 25°C, it offers optimal handling characteristics for laboratory use. Our product is rigorously tested to ensure ≥98% purity (GC), with low water content and acid impurities, making it ideal for sensitive reactions. Packaged under inert gas in amber glass bottles to prevent degradation, it is suitable for nucleophilic substitutions, esterifications, and as a precursor for fluorinated compounds. Shelf-stable when stored at 2-8°C.

Properties

• CAS Number: 383-63-1
• Complexity: 107
• IUPAC Name: ethyl 2,2,2-trifluoroacetate
• InChI: InChI=1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
• InChI Key: STSCVKRWJPWALQ-UHFFFAOYSA-N
• Exact Mass: 142.02416388
• Molecular Formula: C4H5F3O2
• Molecular Weight: 142.08
• SMILES: CCOC(=O)C(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 142.02416388
• Physical Description: Liquid
• Vapor Pressure: 196.0 [mmHg]
• Synonyms: ETHYL TRIFLUOROACETATE, ethyl 2,2,2-trifluoroacetate, Trifluoroacetic acid ethyl ester, Acetic acid, trifluoro-, ethyl ester, Ethyl trifluoroethanoate, Trifluoroacetic acid, ethyl ester, UNII-A6TZK6X11X, A6TZK6X11X, Acetic acid, 2,2,2-trifluoro-, ethyl ester, DTXSID8041959, Ethyl ester of Trifluoroacetic acid, EINECS 206-851-6, CF3COOC2H5, NSC 220215, NSC-220215, ETHYL PERFLUOROACETATE, AI3-52221, DTXCID6021959, EC 206-851-6, ETHYL .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROACETATE, Acetic acid, trifluoro, ethyl ester, Acetic acid, 2,2,2trifluoro, ethyl ester, ETHYL ALPHA,ALPHA,ALPHA-TRIFLUOROACETATE, 206-851-6, inchi=1/c4h5f3o2/c1-2-9-3(8)4(5,6)7/h2h2,1h, stscvkrwjpwalq-uhfffaoysa-n, 383-63-1, MFCD00000419, ethyltrifluoroacetate, ethyl trifloroacetate, ethyl trifluoracetate, ethyl trifluoroacetat, ethyl triflouroacetate, CF3COOEt, ethyl tri-fluoroacetate, ethyl trifluoro-acetate, CF3CO2Et, CF3CO2C2H5, SCHEMBL60813, Ethyl trifluoroacetate, 99%, trifluoracetic acid ethylester, ethyl 2,2,2-triluoroacetate, trifluroacetic acid ethyl ester, SCHEMBL3780640, SCHEMBL3835914, CHEMBL3185188, Trifluoro-acetic acid ethyl ester, CHEBI:192463, CS-B0892, Tox21_301309, NSC220215, SBB008466, STK260851, AKOS000119926, ethyl-alpha,alpha,alpha-trifluoroacetate, NCGC00255908-01, AS-14040, BP-12762, BP-30258, CAS-383-63-1, DB-049273, NS00006404, ST45021370, T0432, EN300-19221, Q27273701, F0001-1091

Application

Ethyl trifluoroacetate serves as a versatile reagent in pharmaceutical synthesis, particularly for introducing trifluoromethyl groups into target molecules. It is extensively used as an acylating agent in peptide chemistry and as a solvent for specialty reactions. The compound finds application in the production of agrochemicals, liquid crystals, and advanced materials requiring fluorine incorporation. Researchers utilize it as a mild esterification reagent for sensitive substrates under neutral conditions.

Safety and Hazards

GHS Hazard Statements

• H225 (99.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H302 (23%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (24.1%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (25.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (69.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (24.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H412 (69.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (99.5%)
• Acute Tox. 4 (23%)
• Skin Irrit. 2 (24.1%)
• Eye Dam. 1 (25.1%)
• Eye Irrit. 2 (69.6%)
• STOT SE 3 (24.1%)
• Aquatic Chronic 3 (69.6%)

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