Methyl trifluoromethanesulfonate

The Methyl trifluoromethanesulfonate with the cas number 333-27-7 is also called Methanesulfonic acid,1,1,1-trifluoro-, methyl ester. Its EINECS registry number is 206-371-7. The molecular formula is C₂H₃F₃O₃S. This chemical is highly flammable and insoluble in water. It is clear colourless to yellow liquid.

The properties of the chemical are: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.393; (4)ACD/LogD (pH 7.4): 0.393; (5)ACD/BCF (pH 5.5): 1.171; (6)ACD/BCF (pH 7.4): 1.171; (7)ACD/KOC (pH 5.5): 38.978; (8)ACD/KOC (pH 7.4): 38.978; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.75 Å²; (13)Index of Refraction: 1.342; (14)Molar Refractivity: 22.223 cm³; (15)Molar Volume: 105.335 cm³; (16)Polarizability: 8.81×10^-24cm³; (17)Surface Tension: 26.148 dyne/cm; (18)Enthalpy of Vaporization: 32.212 kJ/mol; (19)Vapour Pressure: 49.662 mmHg at 25°C.

Uses: This chemical can react with 2-methyl-4,5-dihydro-oxazole to product 2,3-dimethyl-1,3-oxazolinium triflate. This reaction needs solvent CH₂Cl₂ at Ambient temperature. The yield is 90%.

While using this chemical, you should be very cautious. This chemical is flammable and can cause burns. If by inhalation, in contact with skin and if swallowed, it will be very dangerous for human beings. Therefore, you should take the following instructions. Firstly, it should keep away from sources of ignition. Then you should wear suitable protective clothing, gloves and eye/face protection. Finally, in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: COS(=O)(=O)C(F)(F)F
(2)InChI: InChI=1/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3
(3)InChIKey: OIRDBPQYVWXNSJ-UHFFFAOYAL