The Ethyl 2-chloro-4,4,4-trifluoroacetoacetate with CAS registry number of 363-58-6 is also known as Butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, ethyl ester. The IUPAC name is ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate. In addition, the formula is C₆H₆ClF₃O₃ and the molecular weight is 218.56.

Physical properties about Ethyl 2-chloro-4,4,4-trifluoroacetoacetate are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 125.72; (6)ACD/BCF (pH 7.4): 3.76; (7)ACD/KOC (pH 5.5): 725.43; (8)ACD/KOC (pH 7.4): 21.72; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.388; (14)Molar Refractivity: 36.91 cm³; (15)Molar Volume: 156.3 cm³; (16)Polarizability: 14.63×10^-24cm³; (17)Surface Tension: 28.1 dyne/cm; (18)Enthalpy of Vaporization: 41.11 kJ/mol; (19)Vapour Pressure: 1.19 mmHg at 25 °C.

Preparation of Ethyl 2-chloro-4,4,4-trifluoroacetoacetate: it is prepared by reaction of 4,4,4-trifluoro-3-oxo-butyric acid ethyl ester. The reaction needs reagent Cl₂ at the temperature of 15-20 °C for 1 hour. The yield is about 84%.

Uses of Ethyl 2-chloro-4,4,4-trifluoroacetoacetate: it is used to produce 2-amino-4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester by reaction with thiourea. The reaction occurs with reagent ethanol and other condition of heating for 16 hours. The yield is about 72%.

When you are using this chemical, please be cautious about. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, please wear suitable protective clothing, 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:O=C(C(Cl)C(=O)OCC)C(F)(F)F
2. InChI:InChI=1/C6H6ClF3O3/c1-2-13-5(12)3(7)4(11)6(8,9)10/h3H,2H2,1H3
3. InChIKey:YVWUNJVPOCYLIM-UHFFFAOYAD
4. Std. InChI:InChI=1S/C6H6ClF3O3/c1-2-13-5(12)3(7)4(11)6(8,9)10/h3H,2H2,1H3
5. Std. InChIKey:YVWUNJVPOCYLIM-UHFFFAOYSA-N