2-Fluorophenylacetone

The 2-Fluorophenylacetone with CAS registry number of 2836-82-0 is also known as 2-Propanone,1-(2-fluorophenyl)-. The IUPAC name is 1-(2-Fluorophenyl)propan-2-one. It belongs to product categories of Aromatic Ketones (substituted); C9; Carbonyl Compounds; Ketones. Its EINECS registry number is 220-627-5. In addition, the formula is C₉H₉FO and the molecular weight is 152.17. This chemical is a clear light yellow liquid that may catch fire in contact with air, only need brief contact with an ignition source, have a very low flash point or evolve highly flammable gases in contact with water. Besides, it should be sealed in cool, dry place away from fire.

Physical properties about 2-Fluorophenylacetone are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 154.16; (8)ACD/KOC (pH 7.4): 154.16; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.489; (12)Molar Refractivity: 40.45 cm³; (13)Molar Volume: 140 cm³; (14)Surface Tension: 33 dyne/cm; (15)Density: 1.086 g/cm³; (16)Flash Point: 83.4 °C; (17)Enthalpy of Vaporization: 50.41 kJ/mol; (18)Boiling Point: 266.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00877 mmHg at 25 °C.

Preparation of 2-Fluorophenylacetone: it is prepared by reaction of (2-fluoro-phenyl)-acetic acid with methyllithium. The reaction needs reagent lithium bromide and solvents tetrahydrofuran, diethyl ether with other condition of heating for 1 hour. The yield is about 96 %.

Uses of 2-Fluorophenylacetone: it is used to produce 5-fluoro-2-(2-fluoro-phenyl)-1,3-dimethyl-naphthalene. The reaction occurs with reagent BBr₃ and solvent CH₂Cl₂ at the temperature of 20 °C for 1 hour. The yield is about 31 %.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(=O)CC1=CC=CC=C1F
2. InChI: InChI=1S/C9H9FO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3
3. InChIKey: BANVZEUCJHUPOI-UHFFFAOYSA-N