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| CAS No.: | 2926-30-9 |
|---|---|
| Name: | Sodium trifluoromethanesulfonate |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | CF3HSO3Na |
| Molecular Weight: | 172.06 |
| Synonyms: | Methanesulfonicacid, trifluoro-, sodium salt (8CI,9CI);Sodium perfluoromethane sulfonate;Sodium triflate;Sodium trifluoromethanesulfonate;Sodiumtrifluoromethylsulfonate;Trifluoromethanesulfonic acid sodium salt;Methanesulfonic acid, 1,1,1-trifluoro-, sodium salt (1:1);Sodium trifluoromethanesulfonate; |
| Melting Point: | 253-255 °C(lit.) |
| Boiling Point: | 162 °C at 760 mmHg |
| Solubility: | soluble in water |
| Appearance: | White to off-white powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-37/39 |
| PSA: | 65.58000 |
| LogP: | 1.13220 |
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Specification
The Methanesulfonic acid,1,1,1-trifluoro-, sodium salt (1:1), with the CAS registry number 2926-30-9, has the systematic name of sodium trifluoromethanesulfonate. It is a kind of white to off-white powder, and it is also hygroscopic. The molecular formula of this chemical is CF3HSO3Na. What's more, it is usually used as organic fluorine substituted agent, intermediate of pesticide and medicine.
The physical properties of Methanesulfonic acid,1,1,1-trifluoro-, sodium salt (1:1) are as following: (1)ACD/LogP: -0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.87; (4)ACD/LogD (pH 7.4): -3.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 62.75 Å2; (13)Boiling Point: 162 °C at 760 mmHg; (14)Vapour Pressure: 1.14 mmHg at 25°C.
Uses of Methanesulfonic acid,1,1,1-trifluoro-, sodium salt (1:1): It can react with 2-methyl-pyridine to produce N-Fluoro-2-methylpyridinium triflate. This reaction will need reagent 10 % F2-N2, and the solvent acetonitrile. The reaction time is 3 hours with temperature of -40°C, and the yield is about 60%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].FC(F)(F)S([O-])(=O)=O
(2)InChI: InChI=1/CHF3O3S.Na/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1
(3)InChIKey: XGPOMXSYOKFBHS-REWHXWOFAP