Difluoromethyl triflate
ALDRICH/792764 - 95%
Synonym: Difluoromethyl trifluoromethanesulfonate; Trifluoromethanesulfonic acid difluoromethyl ester
CAS Number: 1885-46-7
Empirical Formula (Hill Notation): C2HF5O3S
Molecular Weight: 200.08
MDL Number: MFCD28054469
Linear Formula: C2HF5O3S
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: 792764-5ML.
| assay | 95% |
| density | 1.584 g/mL at 25 °C |
| form | liquid |
| functional group | fluoro |
| triflate | |
| InChI | 1S/C2HF5O3S/c3-1(4)10-11( |
| InChI key | DAANAKGWBDWGBQ-UHFFFAOYSA |
| Quality Level | 100  |
| SMILES string | O=S(OC(F)F)(C(F)(F)F)=O |
| storage temp. | 2-8°C |
| Application: | Difluoromethyl triflate (TfO-CHF2) can be used as a reagent: • In difluoromethylation reaction. • To prepare difluoromethoxylated heterocycles by reacting with hydroxylated N-based heterocycles. • To synthesize trifluoromethylated arenes by treating with diaryliodonium salts in the presence of copper and tetrabutylammonium difluorotriphenylsilicate (TBAT). It allows for a simple method toward the preparation of difluoromethyl ethers and thioethers under basic conditions from alcohols and thiols. Difluoromethyl phenols can also be obtained in a single pot from boronic acids and C-H activation of arenes. |
| General description: | Difluoromethyl triflate (HCF2OTf) is an easy to handle, air-stable and non-ozone-depleting liquid reagent for difluoromethylation. It can be prepared by reacting trifluoromethyltrimethyls |
| Packaging: | 1, 5 mL in glass bottle |
| Symbol |    GHS02,GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H226 - H302 - H314 |
| Precautionary statements | P210 - P280 - P301 + P312 + P330 - P301 + P330 + P331 - P303 + P361 + P353 - P305 + P351 + P338 |
| Hazard Codes | C,Xn |
| Risk Statements | 22-34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 2920 3(8) / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 135.0 °F |
| Flash Point(C) | 57.22 °C |
| Purity | 95% |
| Density | 1.584 g/mL at 25 °C |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352108 |