3-Fluoroanisole

The 3-Fluoroanisole, with the CAS registry number 456-49-5 and EINECS registry number 207-267-4, has the systematic name of 1-fluoro-3-methoxybenzene. It is a kind of clear colorless to straw yellow liquid, and belongs to the following product categories: Other fluorin-contained compounds; AnisoleSeries; Fluorobenzene; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. And the molecular formula of this chemical is C₇H₇FO. What's more, it is usually used as intermediate of pesticide.

The physical properties of 3-Fluoroanisole acid are as following: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.44; (6)ACD/BCF (pH 7.4): 29.44; (7)ACD/KOC (pH 5.5): 391.78; (8)ACD/KOC (pH 7.4): 391.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.471 ; (14)Molar Refractivity: 32.92 cm³; (15)Molar Volume: 117.6 cm³; (16)Polarizability: 13.05×10^-24cm³; (17)Surface Tension: 28.1 dyne/cm; (18)Density: 1.072 g/cm³; (19)Flash Point: 43.9 °C; (20)Enthalpy of Vaporization: 37.92 kJ/mol; (21)Boiling Point: 158.9 °C at 760 mmHg; (22)Vapour Pressure: 3.34 mmHg at 25°C.

Uses of 3-Fluoroanisole: It can react with phenylacetic acid to produce 1-(2-fluoro-4-methoxyphenyl)-2-phenylethanone. This reaction will need reagent polyphosphoric acid (PPA). The reaction time is 2 hour with temperature of 40-70°C, and the yield is about 94%.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical. Therefore, you had better keep it away from sources of ignition and do smoking there.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(OC)c1
(2)InChI: InChI=1/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
(3)InChIKey: MFJNOXOAIFNSBX-UHFFFAOYAX