1-CHLORO-3,3,3-TRIFLUOROACETONE

The 2-Propanone,3-chloro-1,1,1-trifluoro-, with the CAS registry number 431-37-8, is also known as 1-Chloro-3,3,3-trifluoroacetone. This chemical's molecular formula is C₃H₂ClF₃O and molecular weight is 146.5. What's more, its systematic name is 3-Chloro-1,1,1-trifluoropropan-2-one.

Physical properties of 2-Propanone,3-chloro-1,1,1-trifluoro- are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.25; (6)ACD/BCF (pH 7.4): 9.25; (7)ACD/KOC (pH 5.5): 171.07; (8)ACD/KOC (pH 7.4): 171.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.334; (14)Molar Refractivity: 21.28 cm³; (15)Molar Volume: 102.9 cm³; (16)Polarizability: 8.43×10^-24 cm³; (17)Surface Tension: 20.3 dyne/cm; (18)Density: 1.422 g/cm³; (19)Enthalpy of Vaporization: 31.27 kJ/mol; (20)Boiling Point: 71.2 °C at 760 mmHg; (21)Vapour Pressure: 125 mmHg at 25°C.

Uses of 2-Propanone,3-chloro-1,1,1-trifluoro-: it can be used to produce 3-(2-chloro-4,4,4-trifluoro-3-oxo-but-1-enyl)-2,2-dimethyl-cyclopropanecarboxylic acid cyano-(3-phenoxy-phenyl)-methyl ester by heating. It will need reagents b-alanine, glacial AcOH and solvent benzene with the reaction time of 3 hours. The yield is about 32%.

When you are using this chemical, please be cautious about it as the following:
It is flammable, harmful by inhalation, in contact with skin and if swallowed. It is also irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Besides, you should keep it away from sources of ignition - No smoking. When using it, you can't breathe gas/fumes/vapour/spray and you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=O)CCl
(2)InChI: InChI=1S/C3H2ClF3O/c4-1-2(8)3(5,6)7/h1H2
(3)InChIKey: OONJVQFMOZAXOI-UHFFFAOYSA-N