Methyl trifluoroacetate, 98+%

Description

CAS: 431-47-0 | C3H3F3O2 | 128.05 g/mol

Useful reagent for trifluoroacetylation of amines under mild conditions. In the presence of 1,1,3,3-Tetramethyl­guanidine, has also been used for the N-acylation of amino acids. It is used as an intermediate in the synthesis of pharmaceutical and agricultural chemicals. The chemical reactions usually involve nucleophilic substitution of the ester and are useful for the preparation of trifluoroacylated compounds.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Useful reagent for trifluoroacetylation of amines under mild conditions. In the presence of 1,1,3,3-Tetramethyl­guanidine, has also been used for the N-acylation of amino acids. It is used as an intermediate in the synthesis of pharmaceutical and agricultural chemicals. The chemical reactions usually involve nucleophilic substitution of the ester and are useful for the preparation of trifluoroacylated compounds.

Solubility
Not miscible or difficult to mix in water.

Notes
Moisture sensitive. Store away from strong bases, water/moisture and oxidizing agents. Keep the container tightly closed and place it in a cool, dry and well ventilated condition. Store under inert gas. Protect from humidity.

Specifications

Chemical Identifiers

• CAS: 431-47-0
• Molecular Formula: C3H3F3O2
• Molecular Weight (g/mol): 128.05
• MDL Number: MFCD00000417
• InChI Key: VMVNZNXAVJHNDJ-UHFFFAOYSA-N
• Synonym: methyl trifluoroacetate, trifluoroacetic acid methyl ester, acetic acid, trifluoro-, methyl ester, methyltrifluoroacetate, 2,2,2-trifluoromethylacetate, acetic acid, 2,2,2-trifluoro-, methyl ester, methyl trifluoracetate, tfamt, methyl triflouroacetate, pubchem12490
• PubChem CID: 9893
• IUPAC Name: methyl 2,2,2-trifluoroacetate
• SMILES: COC(=O)C(F)(F)F

• Melting Point: -78°C
• Density: 1.283
• Boiling Point: 43°C to 44°C
• Flash Point: −18°C (−0.4°F)
• Odor: Pungent
• Refractive Index: 1.29
• Quantity: 50 g
• UN Number: UN2924
• Beilstein: 1756070
• Sensitivity: Moisture sensitive
• Solubility Information: Not miscible or difficult to mix in water.
• Formula Weight: 128.05
• Percent Purity: ≥98%
• Chemical Name or Material: Methyl trifluoroacetate

Safety and Handling

Hazard Category	H225-H314
Hazard Statement	GHS H Statement H225-H314-H318 Highly flammable liquid and vapour. Causes severe skin burns and eye damage. Causes serious eye damage.
Precautionary Statement	P210-P233-P240-P241-P242-P243-P260-P264b-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: II; Proper Shipping Name: FLAMMABLE LIQUIDS, CORROSIVE, N.O.S.
EINECSNumber	207-074-5
TSCA	Yes
Recommended Storage	Ambient temperatures; Store under Nitrogen

SDS

RUO – Research Use Only