Trifluoromethanesulfonic acid ethyl ester (425-75-2)

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