1,1,1-Trifluoro-2,4-pentanedione

The CAS registry number of 2,4-Pentanedione,1,1,1-trifluoro- is 367-57-7. Its EINECS registry number is 206-698-5. The IUPAC name is 1,1,1-trifluoropentane-2,4-dione. In addition, the molecular formula is C₅H₅F₃O₂ and the molecular weight is 154.09. It is also called 1,1,1-(Trifluoroacetyl)acetone. What's more, it is a kind of clear light yellow to orange liquid and belongs to the classes of API Intermediates; Ligands (Environmentally-friendly Oxidation); Synthetic Organic Chemistry.

Physical properties about this chemical are: (1)ACD/LogP: 2.09; (2)ACD/LogD (pH 5.5): 2.06; (3)ACD/LogD (pH 7.4): 1.25; (4)ACD/BCF (pH 5.5): 21.22; (5)ACD/BCF (pH 7.4): 3.33; (6)ACD/KOC (pH 5.5): 303.71; (7)ACD/KOC (pH 7.4): 47.7; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 34.14 Å²; (11)Index of Refraction: 1.343; (12)Molar Refractivity: 25.72 cm³; (13)Molar Volume: 121.7 cm³; (14)Polarizability: 10.19 ×10^-24cm³; (15)Surface Tension: 22.4 dyne/cm; (16)Density: 1.266 g/cm³; (17)Flash Point: 26.1 °C; (18)Enthalpy of Vaporization: 34.49 kJ/mol; (19)Boiling Point: 106 °C at 760 mmHg; (20)Vapour Pressure: 28.8 mmHg at 25°C.

Uses of 2,4-Pentanedione,1,1,1-trifluoro-: it can be used as solvent, extracting agent and chelating, and can be used for organic synthesis. And it can identify, separate and purify the inorganic ions. In addition, it can react with pyrrolidine to get 5,5,5-trifluoro-4-pyrrolidin-1-yl-pent-2-ene-2,4-diol. This reaction will need solvent petroleum ether. The yield is about 90% at reaction temperature of 0 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. During using it, 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. What's more, you should keep away from sources of ignition and no smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=O)CC(=O)C
(2)InChI: InChI=1/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3
(3)InChIKey: SHXHPUAKLCCLDV-UHFFFAOYAD