Description

Methyl Trifluoroacetate (CAS No. 431-47-0) is a high-purity fluorinated ester with the molecular formula C₃H₃F₃O₂, also known by its IUPAC name methyl 2,2,2-trifluoroacetate. This colorless, volatile liquid is characterized by its strong ester-like odor and exceptional reactivity as a trifluoromethylating agent. With a boiling point of approximately 40-43°C, it exhibits excellent solvency properties for organic synthesis applications. Our product is rigorously tested to meet ≥98% purity standards (GC analysis), with controlled water content (<0.1%) and acidity to ensure optimal performance in sensitive reactions. Packaged under inert gas in amber glass bottles or specialized fluoropolymer-lined containers to prevent moisture absorption and decomposition.

Key applications include: nucleophilic trifluoromethylation, peptide synthesis (as a protecting group reagent), and as a precursor for pharmaceuticals and agrochemicals. Compatible with anhydrous reaction conditions and commonly used in conjunction with organometallic catalysts. Material should be stored at 2-8°C in a well-ventilated area away from strong bases and oxidizers.

Properties

• CAS Number: 431-47-0
• Complexity: 95.2
• IUPAC Name: methyl 2,2,2-trifluoroacetate
• InChI: InChI=1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3
• InChI Key: VMVNZNXAVJHNDJ-UHFFFAOYSA-N
• Exact Mass: 128.00851382
• Molecular Formula: C3H3F3O2
• Molecular Weight: 128.05
• SMILES: COC(=O)C(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 128.00851382
• Physical Description: Clear colorless liquid;
• Vapor Pressure: 538.0 [mmHg]
• Synonyms: METHYL TRIFLUOROACETATE, Trifluoroacetic acid methyl ester, EINECS 207-074-5, CF3C(O)OCH3, DTXSID2059988, Acetic acid, 2,2,2-trifluoro-, methyl ester, DTXCID3040225, Acetic acid, trifluoro, methyl ester, Acetic acid, 2,2,2trifluoro, methyl ester, 207-074-5, inchi=1/c3h3f3o2/c1-8-2(7)3(4,5)6/h1h, un2924, vmvnznxavjhndj-uhfffaoysa-n, 431-47-0, methyl 2,2,2-trifluoroacetate, Acetic acid, trifluoro-, methyl ester, methyltrifluoroacetate, Methyl 2,2,2-trifluoroacetate; Methyl Perfluoroacetate, MFCD00000417, methyl trifluoracetate, Methyl triflouroacetate, methyl2,2,2-trifluoroacetate, Methyl trifluoroacetate, 99%, SCHEMBL111507, SCHEMBL2256267, SCHEMBL6954840, IIRVPHDDBOAHCJ-UHFFFAOYSA-N, VLUMWUXJMUMKDM-UHFFFAOYSA-N, WEADNOMQQFORBX-UHFFFAOYSA-N, AKOS005063972, CS-W013477, FM104406, LS-12950, DB-051040, NS00022187, T0680, EN300-20643, D78309, F0001-1190

Application

Methyl trifluoroacetate serves as a versatile building block in pharmaceutical synthesis, particularly for introducing trifluoromethyl groups into drug molecules to enhance metabolic stability. It’s widely employed as a mild esterification agent for protecting carboxylic acids during peptide synthesis. The compound also finds use in organic synthesis as a precursor for trifluoroacetyl derivatives and in the manufacture of specialty fluoropolymers. Its volatility makes it suitable for vapor-phase deposition processes in material science applications.

Safety and Hazards

GHS Hazard Statements

• H225 (98%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H314 (56.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H317 (37.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (38.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H411 (37.3%): 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, P261, P264, P264+P265, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P370+P378, P391, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (98%)
• Skin Corr. 1B (56.9%)
• Skin Sens. 1 (37.3%)
• Eye Dam. 1 (38.2%)
• Aquatic Chronic 2 (37.3%)

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