Atomfair Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester TMS-TFA C5H9F3O2Si CAS 400-53-3

Description

Trimethylsilyl Trifluoroacetate (CAS No. 400-53-3) is a high-purity organosilicon compound with the molecular formula C₅H₉F₃O₂Si, widely used in organic synthesis and analytical chemistry. This reagent is characterized by its role as a versatile silylating agent, facilitating the protection of hydroxyl groups and other reactive functionalities under mild conditions. Its trifluoroacetate moiety enhances reactivity, making it particularly valuable in peptide synthesis, derivatization for GC-MS analysis, and as a catalyst or intermediate in complex chemical transformations. Packaged under inert conditions to ensure stability, this product meets the stringent purity requirements of pharmaceutical, agrochemical, and materials science research. Available in quantities from grams to kilograms, it is supplied with comprehensive analytical documentation including ¹H NMR, ¹³C NMR, and GC-MS data for quality assurance.

Properties

• CAS Number: 400-53-3
• Complexity: 158
• IUPAC Name: trimethylsilyl 2,2,2-trifluoroacetate
• InChI: InChI=1S/C5H9F3O2Si/c1-11(2,3)10-4(9)5(6,7)8/h1-3H3
• InChI Key: VIYXXANHGYSBLY-UHFFFAOYSA-N
• Exact Mass: 186.03239055
• Molecular Formula: C5H9F3O2Si
• Molecular Weight: 186.20
• SMILES: C[Si](C)(C)OC(=O)C(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 186.03239055
• Synonyms: Trimethylsilyl trifluoroacetate, EINECS 206-923-7, Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester, DTXSID6059944, Trifluoroacetic Acid, TMS derivative, DTXCID7039701, 206-923-7, viyxxanhgysbly-uhfffaoysa-n, 400-53-3, trimethylsilyl 2,2,2-trifluoroacetate, Acetic acid, trifluoro-, trimethylsilyl ester, MFCD00000413, K6JU5FBY95, trimethylsilyltrifluoroacetate, TMS trifluoroacetate, UNII-K6JU5FBY95, CF3C(O)OSi(CH3)3, trimethylsilyl-trifluoroacetate, SCHEMBL423208, SBB090400, AKOS015852892, FS-4778, Trifluoroacetic acid trimethylsilyl ester, SY050398, trifluoroacetic acid, trimethylsilyl ester, NS00042723, T2629, TrifluoressigsA currencyure-trimethylsilylester, D92627, S20360, Trimethylsilyl trifluoroacetate, >=97.0% (T), 1,1-dimethyl-1-silaethyl 2,2,2-trifluoroacetate

Application

Trimethylsilyl Trifluoroacetate is extensively employed as a silylating agent for the derivatization of polar compounds (e.g., alcohols, carboxylic acids) to improve their volatility for GC-MS analysis. It serves as a key reagent in peptide synthesis for temporary protection of amino acid functionalities. Additionally, its reactivity is leveraged in nucleoside and carbohydrate chemistry for selective group protection and deprotection strategies.

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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