Methyl trifluoroacetate
ALDRICH/249831 - 99%
Synonym: Methyl 2,2,2-
CAS Number: 431-47-0
Empirical Formula (Hill Notation): C3H3F3O2
Molecular Weight: 128.05
EC Number: 207-074-5
MDL Number: MFCD00000417
Linear Formula: CF3COOCH3
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 249831-100G.
| assay | 99% |
| bp | 43-43.5 °C (lit.) |
| density | 1.273 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C3H3F3O2/c1-8-2(7)3(4, |
| InChI key | VMVNZNXAVJHNDJ-UHFFFAOYSA |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | COC(=O)C(F)(F)F |
| vapor pressure | 5.77 psi ( 20 °C) |
| Application: | Methyl trifluoroacetate has been used as reagent for trifluoroacetylation of amines and amino acids. |
| 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. |
| Packaging: | 25, 100 g in glass bottle |
| Symbol |   GHS02,GHS05 |
| Signal word | Danger |
| Hazard statements | H225 - H314 |
| Precautionary statements | P210 - P280 - P305 + P351 + P338 - P310 |
| Hazard Codes | F,C |
| Risk Statements | 11-34 |
| Safety Statements | 16-26-36/37/39-45 |
| RIDADR | UN 2924 8(3) / PGII |
| WGK Germany | WGK 1 |
| Flash Point(F) | -4.0 °F - closed cup |
| Flash Point(C) | -20 °C - closed cup |
| Purity | 99% |
| bp | 43-43.5 °C (lit.) |
| Density | 1.273 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |