Methyl trifluoroacetate
- CAS NO.：431-47-0
- Empirical Formula: C3H3F3O2
- Molecular Weight: 128.05
- MDL number: MFCD00000417
- EINECS: 207-074-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-24 19:19:26
What is Methyl trifluoroacetate?
Chemical properties
clear colorless liquid
The Uses of Methyl trifluoroacetate
Methyl trifluoroacetate has been used as reagent for trifluoroacetylation of amines and amino acids.
Synthesis Reference(s)
Journal of the American Chemical Society, 113, p. 700, 1991 DOI: 10.1021/ja00002a063
General Description
Methyl trifluoroacetate along with cesium fluoride or cesium chloride and CuI constitutes a valuable trifluoromethylating reagent for substituting aromatic (or heteroaromatic) iodides and bromides. Adsorption of methyl trifluoroacetate on amorphous silica has been investigated. Fragmentation mechanism of generation of metastable ions from methyl trifluoroacetate has been investigated by mass analyzed ion kinetic energy spectra and ab initio molecular orbital calculations.
Flammability and Explosibility
Flammable
Properties of Methyl trifluoroacetate
| Melting point: | -78 °C |
| Boiling point: | 43-43.5 °C (lit.) |
| Density | 1.273 g/mL at 25 °C (lit.) |
| vapor pressure | 5.77 psi ( 20 °C) |
| refractive index | n |
| Flash point: | 19 °F |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | 8g/l |
| form | Liquid |
| color | Clear colorless |
| Specific Gravity | 1.273 |
| PH | 7 (8g/l, H2O, 20℃) |
| explosive limit | 6.1-24.8%(V) |
| Water Solubility | 8 g/L |
| Sensitive | Moisture Sensitive |
| BRN | 1756070 |
| Dielectric constant | 11.460000000000001 |
| Stability: | Volatile |
| CAS DataBase Reference | 431-47-0(CAS DataBase Reference) |
| NIST Chemistry Reference | CF3C(O)OCH3(431-47-0) |
| EPA Substance Registry System | Acetic acid, trifluoro-, methyl ester (431-47-0) |
Safety information for Methyl trifluoroacetate
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H225:Flammable liquids H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Methyl trifluoroacetate
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