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333-27-7

Basic Information
CAS No.: 333-27-7
Name: Methyl trifluoromethanesulfonate
Article Data: 35
Molecular Structure:
Molecular Structure of 333-27-7 (Methyl trifluoromethanesulfonate)
Formula: C2H3F3O3S
Molecular Weight: 164.105
Synonyms: Methanesulfonicacid, trifluoro-, methyl ester (6CI,7CI,8CI,9CI);Methyl triflate;NSC 270679;Trifluoromethanesulfonic acid methylester;
EINECS: 206-371-7
Density: 1.558 g/cm3
Boiling Point: 96.499 °C at 760 mmHg
Flash Point: 38.333 °C
Solubility: insoluble
Appearance: clear colourless to yellow liquid
Hazard Symbols: CorrosiveC, ToxicT
Risk Codes: 10-34-20/21/22
Safety: 26-36/37/39-45-16
Transport Information: UN 2920 8/PG 2
PSA: 51.75000
LogP: 1.56320
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  • Methyl trifluoromethanesulfonate

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  • Methyl trifluoromethanesulfonate

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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