421-83-0
Trifluoromethanesulfonyl chloride
CAS: 421-83-0
Molecular Formula: CClF3O2S
421-83-0 - Names and Identifiers
| Name | Trifluoromethanesulfonyl chloride |
| Synonyms | PFC-MSC TRIFLYL CHLORIDE trifluoromethylsulfonyl chloride TRIFLUOROMETHANESULFONYL CHLORIDE Trifluoromathanesulfonyl chloride Trifluoromethanesulfonyl chloride Trifluoro Methanesulfornylchloride Trifluoromethanesulphonyl chloride TRIFLUOROMETHANESULPHONYL CHLORIDE Methanesulfonyl chloride, trifluoro- |
| CAS | 421-83-0 |
| EINECS | 207-009-0 |
| InChI | InChI=1/CClF3O2S/c2-8(6,7)1(3,4)5 |
| InChIKey | GRGCWBWNLSTIEN-UHFFFAOYSA-N |
421-83-0 - Physico-chemical Properties
| Molecular Formula | CClF3O2S |
| Molar Mass | 168.52 |
| Density | 1.583 g/mL at 25 °C (lit.) |
| Melting Point | -26 °C |
| Boling Point | 29-32 °C (lit.) |
| Flash Point | 32°C |
| Water Solubility | Hydrolyzes with water. |
| Solubility | Chloroform |
| Vapor Presure | 10.36 psi ( 20 °C) |
| Appearance | Liquid |
| Specific Gravity | 1.583 |
| Color | Clear colorless to faintly colored |
| BRN | 1812016 |
| Storage Condition | 2-8°C |
| Sensitive | Lachrymatory |
| Refractive Index | n20/D 1.334(lit.) |
421-83-0 - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R14 - Reacts violently with water R34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 3265 8/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-21 |
| HS Code | 29049090 |
| Hazard Note | Corrosive/Lachrymatory |
| Hazard Class | 8 |
| Packing Group | II |
421-83-0 - Reference Information
| overview | trifluoromethanesulfonyl chloride can be used as a pharmaceutical intermediate, such as the preparation of resveratrol trimethyl ether, resveratrol trimethyl ether is an important synthetic raw material for many antibacterial drugs, weight loss drugs, anti-cancer drugs and auxiliary agents. For example, the preparation of anti-cancer H-PGDS inhibitors, Rho-kinase inhibitors, KSP inhibitors, CSF-1R inhibitors, renin inhibitors, etc. Trifluoromethanesulfonyl chloride can be prepared by the reaction of trifluoromethanesulfonic acid and thionyl chloride. |
| application | trifluoromethane sulfonyl chloride can be used as an intermediate in organic synthesis and a pharmaceutical intermediate, and can be used in laboratory research and development processes and chemical and pharmaceutical synthesis processes. |
| Application area | 1) Preparation of trifluoromethyl sulfonyl fluoride from trifluoromethyl sulfonyl chloride. Trifluoromethyl sulfonyl fluoride is an important organic intermediate, which can be used to prepare important organic compounds such as trifluoromethyl sulfonic acid, trifluoromethyl sulfonate, and bis (trifluoromethyl sulfonyl) imine salt. It is also an indispensable basic raw material for the synthesis of many pharmaceutical compounds and organic catalysts. As an important fine chemical intermediates, there is a great demand for trifluoromethylsulfonyl fluoride at home and abroad, and it is increasingly becoming a hot product in the field of fine chemical intermediates. 2) Preparation of bistrifluoromethane sulfonyl lithium salt, including the following steps: dissolving phenylmethylamine in an organic solvent, and performing sulfonamide reaction with trifluoromethyl sulfonyl chloride or trifluoromethyl sulfonyl fluoride to obtain benzene Methyl bis-trifluoromethyl sulfonyl ammonia is reduced to obtain bis-trifluoromethyl sulfonyl ammonia; the obtained bis-trifluoromethyl sulfonyl ammonia is ion exchanged with resin lithium under the condition of anhydrous solvent to obtain the final product bis-trifluoromethyl sulfonyl lithium salt; the method is cheap and easy to obtain raw materials, simple reaction steps, high yield, almost no pollution, no harsh and dangerous reaction conditions, the product is easy to purify, suitable for domestic mass production. |
| preparation | at room temperature, add 1mol of trifluoromethanesulfonic acid to 1L of dichloromethane, stir and slowly add 0.5mol of thionyl chloride dropwise, control the time for 55min dropwise addition, stir for 12 hours at room temperature, concentrate the reaction system to obtain crude trifluoromethanesulfonyl chloride without purification. |
| Uses | Trifluoromethylation reagents for aromatic compounds and alkenes catalyzed by ruthenium (II) complexes. |
Last Update：2024-04-09 21:01:54
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