4-FLUORO-2-METHOXYACETOPHENONE

The Ethanone,1-(4-fluoro-2-methoxyphenyl)-, with CAS registry number 51788-80-8, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)Adehydes, Acetals & Ketones; (3)Anisoles, Alkyloxy Compounds & Phenylacetates; (4)Fluorine Compounds;Acetophenone series. Its systematic name and its IUPAC name are the same, which is 1-(4-fluoro-2-methoxyphenyl)ethanone.

Physical properties of Ethanone,1-(4-fluoro-2-methoxyphenyl)-: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.01; (6)ACD/BCF (pH 7.4): 19.01; (7)ACD/KOC (pH 5.5): 286.44; (8)ACD/KOC (pH 7.4): 286.44; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 42.95 cm³; (15)Molar Volume: 149.1 cm³; (16)Polarizability: 17.02×10^-24cm³; (17)Surface Tension: 32.5 dyne/cm; (18)Enthalpy of Vaporization: 46.5 kJ/mol; (19)Vapour Pressure: 0.0736 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methoxy-4-fluoroacetophenone. This reaction will need reagent sodium hydride and solvent dimethylformamide.  The reaction time is 1 hour(s) with reaction temperature of 0 ℃. The yield is about 92%.

Uses of Ethanone,1-(4-fluoro-2-methoxyphenyl)-: it can be used to produce 1-(2-methoxy-4-methylsulfanyl-phenyl)-ethanone. This reaction will need reagent potassium hydroxide and solvent dimethylformamide. The reaction time is 2 hour(s) with reaction temperature of 0 ℃. The yield is about 55%.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(4-fluoro-2-methoxyphenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(OC)c(C(=O)C)cc1
(2)InChI: InChI=1/C9H9FO2/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-5H,1-2H3
(3)InChIKey: YOXBPWVWNQROBJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H9FO2/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-5H,1-2H3
(5)Std. InChIKey: YOXBPWVWNQROBJ-UHFFFAOYSA-N