2,2,2-TRIFLUOROETHYL TRIFLUOROACETATE

The CAS register number of Acetic acid,2,2,2-trifluoro-, 2,2,2-trifluoroethyl ester is 407-38-5. It also can be called as 2,2,2-Trifluoroethyl trifluoroacetate and the IUPAC name about this chemical is 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate. The molecular formula about this chemical is C₄H₂F₆O₂ and the molecular weight is 196.05. It belongs to the following product categories which include C2 to C5; Carbonyl Compounds; Esters and so on.

Physical properties about Acetic acid,2,2,2-trifluoro-, 2,2,2-trifluoroethyl ester are: (1)ACD/LogP: 1.50; (2)ACD/LogD (pH 5.5): 1.5; (3)ACD/LogD (pH 7.4): 1.5; (4)ACD/BCF (pH 5.5): 8.17; (5)ACD/BCF (pH 7.4): 8.17; (6)ACD/KOC (pH 5.5): 156.59; (7)ACD/KOC (pH 7.4): 156.59; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Ų; (11)Index of Refraction: 1.284; (12)Molar Refractivity: 23.26 cm³; (13)Molar Volume: 130.8 cm³; (14)Polarizability: 9.22x10^-24cm³; (15)Surface Tension: 16.3 dyne/cm; (16)Enthalpy of Vaporization: 29.8 kJ/mol; (17)Boiling Point: 55 °C at 760 mmHg; (18)Vapour Pressure: 240 mmHg at 25°C.

Preparation: this chemical can be prepared by trifluoroacetic acid anhydride and 2,2,2-trifluoro-ethanol. The yield is about 65%.

Uses of Acetic acid,2,2,2-trifluoro-, 2,2,2-trifluoroethyl ester: it can be used to produce 2-(2,2,2-trifluoro-ethoxy)-2-trifluoromethyl-oxirane with diazomethane at ambient temperature. This reaction will need solvent diethyl ether with reaction time of 1 hours. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It can cause burns. If you want to use this chemical, please keep away from sources of ignition and take off immediately all contaminated clothing. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)COC(=O)C(F)(F)F
(2)InChI: InChI=1/C4H2F6O2/c5-3(6,7)1-12-2(11)4(8,9)10/h1H2
(3)InChIKey: ZKUJOCJJXCPCFS-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C4H2F6O2/c5-3(6,7)1-12-2(11)4(8,9)10/h1H2
(5)Std. InChIKey: ZKUJOCJJXCPCFS-UHFFFAOYSA-N