ETHYL 2,2-DIFLUOROACETOACETATE

The 2,2-Difluoro-3-oxobutyric acid ethyl ester, with the CAS registry number 2266-48-0, has the systematic name of ethyl 2,2-difluoro-3-oxobutanoate. It should be sealed and stored in dark, ventilated, cool and dry places and be protected from oxidizers. And the molecular formula of this chemical is C₆H₈F₂O₃.

The physical properties of 2,2-Difluoro-3-oxobutyric acid ethyl ester are as following: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.01; (6)ACD/BCF (pH 7.4): 6.01; (7)ACD/KOC (pH 5.5): 125.59; (8)ACD/KOC (pH 7.4): 125.59; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Ų; (13)Index of Refraction: 1.376; (14)Molar Refractivity: 31.94 cm³; (15)Molar Volume: 139.1 cm³; (16)Polarizability: 12.66×10^-24cm³; (17)Surface Tension: 26.2 dyne/cm; (18)Density: 1.194 g/cm³; (19)Flash Point: 50.5 °C; (20)Enthalpy of Vaporization: 39.78 kJ/mol; (21)Boiling Point: 161.2 °C at 760 mmHg; (22)Vapour Pressure: 2.3 mmHg at 25°C. 

Uses of 2,2-Difluoro-3-oxobutyric acid ethyl ester: It can be used to produce 2,2-difluoro-3-hydroxy-butyric acid ethyl ester. This reaction will need solvent toluene. The reaction time is 20 hours with temperature of 30°C, and the yield is about 93%.

You should be cautious while dealing with this chemical. It is a kind if flammble chemcial which irritates eyes and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(=O)C)C(=O)OCC
(2)InChI: InChI=1/C6H8F2O3/c1-3-11-5(10)6(7,8)4(2)9/h3H2,1-2H3
(3)InChIKey: NXMSOLWESKBEJJ-UHFFFAOYAB