Description

2,2,2-Trifluoroethyl trifluoroacetate (CAS No. 407-38-5) is a high-purity fluorinated ester with the molecular formula C₄H₂F₆O₂. This specialty chemical is characterized by its two trifluoromethyl groups, which confer exceptional stability and reactivity, making it invaluable in advanced synthetic and industrial applications. Its IUPAC name, 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate, reflects its precise molecular structure. Ideal for researchers and scientists, this compound is rigorously tested for consistency, ensuring optimal performance in fluorination reactions, pharmaceutical intermediates, and material science. Packaged under inert conditions to maintain purity, it is available in various quantities to suit laboratory and bulk-scale needs.

Properties

• CAS Number: 407-38-5
• Complexity: 167
• IUPAC Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate
• InChI: InChI=1S/C4H2F6O2/c5-3(6,7)1-12-2(11)4(8,9)10/h1H2
• InChI Key: ZKUJOCJJXCPCFS-UHFFFAOYSA-N
• Exact Mass: 195.99589827
• Molecular Formula: C4H2F6O2
• Molecular Weight: 196.05
• SMILES: C(C(F)(F)F)OC(=O)C(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 195.99589827
• Synonyms: 2,2,2-Trifluoroethyl trifluoroacetate, 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate, Acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester, Z64US2QA96, EINECS 206-985-5, Trifluoroacetic Acid 2,2,2-Trifluoroethyl Ester, CF3C(O)OCH2CF3, DTXSID30193676, Trifluoroacetic acid trifluoroethyl ester, ACETIC ACID, 2,2,2-TRIFLUORO-, 2,2,2-TRIFLUOROETHYL ESTER, DTXCID70116167, 206-985-5, zkujocjjxcpcfs-uhfffaoysa-n, 407-38-5, trifluoroethyl trifluoroacetate, MFCD00000418, 2,2,2-Trifluoroethyl trifluoroacetate; Trifluoroacetic acid 2,2,2-trifluoroethyl ester, 2,2,2-Trifluoroethyl 2,2,2-Trifluoroacetate; 2,2,2-Trifluoroethyl Trifluoroacetate; Trifluoroacetic Acid 2,2,2-trifluoroethyl Ester; Trifluoroethyl Trifluoroacetate, 2,2,2-trifluoroethyltrifluoroacetate, CF3CO2CH2CF3, UNII-Z64US2QA96, SCHEMBL668270, SBB091941, AKOS005207047, FS-4383, SY048815, CS-0016323, NS00030837, T1697, ethanol, 2,2,2-trifluoro-, trifluoroacetate, 2,2,2-Trifluoroethyl trifluoroacetate, >=98%, D92502, EN300-256600

Application

2,2,2-Trifluoroethyl trifluoroacetate is widely used as a versatile reagent in organic synthesis, particularly for introducing trifluoroethyl or trifluoroacetyl groups into target molecules. It serves as a key intermediate in the pharmaceutical industry for the synthesis of fluorinated drugs and bioactive compounds. Additionally, its stability under harsh conditions makes it suitable for applications in agrochemicals and specialty materials. Researchers also employ it as a solvent or catalyst in fluorination reactions due to its high reactivity and selectivity.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Flam. Liq. 2 (100%)
• Skin Corr. 1B (100%)

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