trifluoromethanesulphonamide
Trifluoromethanesulphonamide
CAS: 421-85-2
Molecular Formula: CH2F3NO2S
trifluoromethanesulphonamide - Names and Identifiers
| Name | Trifluoromethanesulphonamide |
| Synonyms | TRIFLAMIDE trifluoromethylsulfonamide Trifluoromethanesulfonamide Trifluoromethanesulphonamide 1,1,1-trifluoromethanesulfonamide Trifluoromethanesulfonimidic acid |
| CAS | 421-85-2 |
| EINECS | 431-270-1 |
| InChI | InChI=1/CH2F3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7) |
| InChIKey | KAKQVSNHTBLJCH-UHFFFAOYSA-N |
trifluoromethanesulphonamide - Physico-chemical Properties
| Molecular Formula | CH2F3NO2S |
| Molar Mass | 149.09 |
| Density | 1.730±0.06 g/cm3(Predicted) |
| Melting Point | 120-124°C(lit.) |
| Boling Point | 164.6±45.0 °C(Predicted) |
| Flash Point | 53.3°C |
| Water Solubility | Soluble in water. |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 1.95mmHg at 25°C |
| Appearance | Solid |
| Color | Off-White |
| BRN | 1812099 |
| pKa | 6.37±0.60(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.369 |
| MDL | MFCD00068714 |
trifluoromethanesulphonamide - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| HS Code | 29350090 |
| Hazard Note | Harmful |
trifluoromethanesulphonamide - Reference Information
Open Data Unverified Data
| Application | Trifluoromethanesulfonamide is an organic intermediate, which can be prepared by the reaction of trifluoromethanesulfonyl chloride and ammonia. Trifluoromethanesulfonyl can be used to prepare LiTFSI, which is an organic electrolyte additive for lithium batteries with excellent performance. Due to its special chemical structure of anionic part (CF3SO2)2N-, LiTFSI has high electrochemical stability and conductivity. Compared with LiClO4 and LiPF6,LiTFSI as an electrolyte additive has: 1) improving SEI film of positive and negative electrodes; 2) stabilizing the interface between positive and negative electrodes; 3) inhibiting gas generation; 4) Improve cycle performance; 5) Improve high temperature stability; 6) Improve storage performance and other advantages. |
| preparation | add 172g of 98% CF3SO2Cl(1mol) and 500mL of anhydrous acetonitrile after water treatment into a closed reactor with thermometer, stirrer and nitrogen and oxygen removal, keep the reaction temperature at -5~0 ℃, and introduce dry ammonia or corresponding amount of dry ammonium carbonate into the inverse reactor, in the stirring state, the reaction temperature is gradually increased to room temperature, and the reaction ends after 3 hours of reaction. The by-product ammonium chloride in the reaction solution is filtered and removed, the solvent in the filtrate is distilled under reduced pressure, and the white wafer trifluoromethanesulfonamide crude product is prepared by drying under reduced pressure at 50 ℃, and the yield is not less than 96%. |
Last Update：2024-04-09 19:43:38
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