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Methyl trifluoromethanesulfonate

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Name

Methyl trifluoromethanesulfonate

EINECS 206-371-7
CAS No. 333-27-7 Density 1.558 g/cm3
PSA 51.75000 LogP 1.56320
Solubility insoluble Melting Point N/A
Formula C2H3F3O3S Boiling Point 96.499 °C at 760 mmHg
Molecular Weight 164.105 Flash Point 38.333 °C
Transport Information UN 2920 8/PG 2 Appearance clear colourless to yellow liquid
Safety 26-36/37/39-45-16 Risk Codes 10-34-20/21/22
Molecular Structure Molecular Structure of 333-27-7 (Methyl trifluoromethanesulfonate) Hazard Symbols CorrosiveC, ToxicT
Synonyms

Methanesulfonicacid, trifluoro-, methyl ester (6CI,7CI,8CI,9CI);Methyl triflate;NSC 270679;Trifluoromethanesulfonic acid methylester;

Article Data 35

Methyl trifluoromethanesulfonate Specification

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

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