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| | 3-Fluoro-4-methoxybenzonitrile Basic information |
| | 3-Fluoro-4-methoxybenzonitrile Chemical Properties |
| Melting point | 97-101 °C | | Boiling point | 96-98°C/1mm | | density | 1.18±0.1 g/cm3(Predicted) | | Fp | 96-98°C/1mm | | storage temp. | Sealed in dry,Room Temperature | | form | powder to crystal | | color | White to Almost white | | InChI | 1S/C8H6FNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3 | | InChIKey | FEEOVAOEPGQDTJ-UHFFFAOYSA-N | | SMILES | COc1ccc(cc1F)C#N | | CAS DataBase Reference | 331-62-4(CAS DataBase Reference) |
| Hazard Codes | T,Xi | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 23-36/37/39-36-26 | | RIDADR | 3439 | | WGK Germany | 3 | | Hazard Note | Toxic | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269090 | | Storage Class | 11 - Combustible Solids |
| | 3-Fluoro-4-methoxybenzonitrile Usage And Synthesis |
| Chemical Properties | Colorless solid | | Synthesis | General procedure for the synthesis of 3-fluoro-4-methoxybenzonitrile from 2-fluoro-4-bromoanisole: 20 g of 2-fluoro-4-bromoanisole and 9.8 g of copper cyanide were dissolved in 100 mL of dimethylformamide, and the reaction was carried out at reflux with heat for 10 hours. Upon completion of the reaction, an aqueous solution of 20 g of ferric chloride dissolved in 100 mL of water was added to the reaction mixture. The reaction mixture was cooled to room temperature and the target product was extracted with toluene. The organic layer was washed sequentially with water, saturated aqueous sodium carbonate solution and saturated aqueous table salt solution. After separation of the organic layer, the extract was dried with anhydrous sodium sulfate, followed by distillation to remove the solvent. The crude product was purified by silica gel column chromatography (unfolding reagent ratio hexane:ethyl acetate=10:1) and further recrystallized with ethanol. Finally 10.0 g of 3-fluoro-4-methoxybenzonitrile was obtained in 68% yield. | | References | [1] Patent: US4997942, 1991, A |
| | 3-Fluoro-4-methoxybenzonitrile Preparation Products And Raw materials |
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