2-Propanone,1-(2-fluorophenyl)- (2836-82-0)

The 2-Fluorophenylacetone, with the CAS registry number 2836-82-0, is also known as o-Fluorophenylacetone. It belongs to the product categories of Aromatic Ketones (substituted); C9; Carbonyl Compounds; Ketones. Its EINECS number is 220-627-5. This chemical's molecular formula is C₉H₉FO and molecular weight is 152.17. Its IUPAC name is called 1-(2-fluorophenyl)propan-2-one. This chemical is clear light yellow liquid.

Physical properties of 2-Fluorophenylacetone: (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)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.489; (13)Molar Refractivity: 40.45 cm³; (14)Molar Volume: 140 cm³; (15)Surface Tension: 33 dyne/cm; (16)Density: 1.086 g/cm³; (17)Flash Point: 83.4 °C; (18)Enthalpy of Vaporization: 50.41 kJ/mol; (19)Boiling Point: 266.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00877 mmHg at 25°C.

Preparation: this chemical can be prepared by (2-fluoro-phenyl)-acetic acid and methyllithium. This reaction will need reagent lithium bromide and solvent tetrahydrofuran, diethyl ether. The reaction time is 1 hours. The yield is about 96%.

Uses of 2-Fluorophenylacetone: it can be used to produce 5-fluoro-2-(2-fluoro-phenyl)-1,3-dimethyl-naphthalene at temperature of 20 °C. This reaction is a kind of Condensation//cyclization. It will need reagent BBr₃ and solvent CH₂Cl₂ with reaction time of 1 hours. The yield is about 31%.

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. It is irritating to eyes, respiratory system and skin. You should avoid contacting it with your 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