1-(TRIFLUOROMETHYL)VINYL ACETATE

The 1-Propen-2-ol,3,3,3-trifluoro-, 2-acetate, with CAS registry number 2247-91-8, belongs to the following product category: Monomer. It has the systematic name of 3,3,3-trifluoroprop-1-en-2-yl acetate. This chemical is a kind of clear colorless to slightly yellow liquid. And it should be stored at the temperature of 0-6°C. What's more, its EINECS is 218-838-2.

Physical properties of 1-Propen-2-ol,3,3,3-trifluoro-, 2-acetate: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.25; (6)ACD/BCF (pH 7.4): 55.25; (7)ACD/KOC (pH 5.5): 614.89; (8)ACD/KOC (pH 7.4): 614.89; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.349; (14)Molar Refractivity: 27.01 cm³; (15)Molar Volume: 125.8 cm³; (16)Polarizability: 10.7×10^-24cm³; (17)Surface Tension: 19.5 dyne/cm; (18)Density: 1.224 g/cm³; (19)Flash Point: 24 °C; (20)Enthalpy of Vaporization: 35.24 kJ/mol; (21)Boiling Point: 113.9 °C at 760 mmHg; (22)Vapour Pressure: 20.4 mmHg at 25°C.

Uses of 1-Propen-2-ol,3,3,3-trifluoro-, 2-acetate: it can be used to produce acetic acid 2,2,2-trifluoro-1-methyl-ethyl ester. This reaction will need reagent H2 and solvent methanol. The reaction temperature is 20 - 25 ℃. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
The 1-Propen-2-ol,3,3,3-trifluoro-, 2-acetate irritates to eyes, respiratory system and skin. This chemical is also harmful by inhalation, in contact with skin and if swallowed. And it is highly flammable, so keep it away from sources of ignition. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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)C(\OC(=O)C)=C
(2)InChI: InChI=1/C5H5F3O2/c1-3(5(6,7)8)10-4(2)9/h1H2,2H3
(3)InChIKey: VOKGSDIHTCTXDS-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H5F3O2/c1-3(5(6,7)8)10-4(2)9/h1H2,2H3
(5)Std. InChIKey: VOKGSDIHTCTXDS-UHFFFAOYSA-N