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Ethyl trifluoromethanesulfonate

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Name

Ethyl trifluoromethanesulfonate

EINECS 207-037-3
CAS No. 425-75-2 Density 1.461 g/cm3
PSA 51.75000 LogP 1.95330
Solubility Hydrolyzes in water. Melting Point N/A
Formula C3H5F3O3S Boiling Point 115 °C at 760 mmHg
Molecular Weight 178.132 Flash Point 35.6 °C
Transport Information N/A Appearance Clear colorless to yellow liquid
Safety 16-26-36/37/39-45 Risk Codes 10-34
Molecular Structure Molecular Structure of 425-75-2 (Ethyl trifluoromethanesulfonate) Hazard Symbols CorrosiveC,ToxicT,FlammableF
Synonyms

Methanesulfonicacid, trifluoro-, ethyl ester (6CI,8CI,9CI);Ethyl triflate;Ethyltrifluoromethanesulfonate;Ethyl trifluoromethylsulfonate;Trifluoromethanesulfonic acid ethyl ester;

Article Data 35

Ethyl trifluoromethanesulfonate Specification

The Ethyl trifluoromethanesulfonate is an organic compound with the formula C3H5F3O3S. The IUPAC name of this chemical is ethyl trifluoromethanesulfonate. With the CAS registry number 425-75-2, it is also named as Methanesulfonic acid, trifluoro-, ethyl ester. The product's categories are Alkyl Transfer; C-X Bond Formation (Non-Halogen); Synthetic Reagents; Acylation ReagentsDerivatization Reagents; Analytical/Chromatography; Derivatization Reagents; Derivatization Reagents GC; Reagents for Acylation. Besides, it is a clear colorless to yellow liquid.

Physical properties about Ethyl trifluoromethanesulfonate are: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): 1.49; (3)ACD/LogD (pH 7.4): 1.49; (4)ACD/BCF (pH 5.5): 7.97; (5)ACD/BCF (pH 7.4): 7.97; (6)ACD/KOC (pH 5.5): 153.77; (7)ACD/KOC (pH 7.4): 153.77; (8)#H bond acceptors: 3 ; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 51.75 Å2; (11)Index of Refraction: 1.359; (12)Molar Refractivity: 26.85 cm3; (13)Molar Volume: 121.8 cm3; (14)Polarizability: 10.64×10-24cm3; (15)Surface Tension: 27 dyne/cm; (16)Density: 1.461 g/cm3; (17)Flash Point: 35.6 °C; (18)Enthalpy of Vaporization: 33.88 kJ/mol; (19)Boiling Point: 115 °C at 760 mmHg; (20)Vapour Pressure: 23 mmHg at 25°C.

Preparation: this chemical can be prepared by ethanol and trifluoro-methanesulfonic acid anhydride. This reaction will need reagent K2CO3 and solvent CH2Cl2. The reaction time is 6 hours with reaction temperature of -20 °C.



Uses of Ethyl trifluoromethanesulfonate: it can be used to produce 3-Ethoxy-1H-isoindolium-trifluormethansulfonat at ambient temperature. It will need solvent CH2Cl2 with reaction time of 22 hours. The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and can cause burns.In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). When you are using it, keep away from sources of ignition - No smoking and wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)S(=O)(=O)OCC
(2)InChI: InChI=1/C3H5F3O3S/c1-2-9-10(7,8)3(4,5)6/h2H2,1H3
(3)InChIKey: UVECLJDRPFNRRQ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C3H5F3O3S/c1-2-9-10(7,8)3(4,5)6/h2H2,1H3
(5)Std. InChIKey: UVECLJDRPFNRRQ-UHFFFAOYSA-N

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