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| | 2-Bromo-6-fluorobenzonitrile Basic information |
| | 2-Bromo-6-fluorobenzonitrile Chemical Properties |
| Melting point | 60-61 | | Boiling point | 254.6±25.0 °C(Predicted) | | density | 1.69±0.1 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | form | Solid | | color | White to brown | | InChIKey | IELGUZKHALDFOO-UHFFFAOYSA-N | | CAS DataBase Reference | 79544-27-7(CAS DataBase Reference) |
| Hazard Codes | T,Xi,Xn | | Risk Statements | 22-36/37/38 | | Safety Statements | 26 | | WGK Germany | 3 | | Hazard Note | Toxic | | HazardClass | IRRITANT-HARMFUL | | HazardClass | 6.1 | | HS Code | 2926907090 |
| | 2-Bromo-6-fluorobenzonitrile Usage And Synthesis |
| Chemical Properties | Off-white crystalline | | Uses | 2-Bromo-6-fluorobenzonitrile is used as an initial raw material in the synthesis of 2-bromo-6-fluorobenzoic acid. | | Synthesis | 2-Amino-6-fluorobenzonitrile (18.0 g, 132 mmol) was dissolved in hot 1,4-dioxane (20 ml), 48% hydrobromic acid (200 ml) was added and the mixture cooled to 0°C before dropwise addition of sodium nitrite (10.5 g, 152 mmol) in water (20 ml) over 1.5 h. The resulting mixture was stirred at 0°C for 1.5 h then poured onto a cooled (0°C) solution of copper(I) bromide (56.8 g, 396 mmol) in 48% hydrobromic acid (50 ml). The solution was stirred at 0°C for 15 min then heated at 50°C for 20 min. The mixture was cooled to ambient temperature, diluted with water (1200 ml) and extracted with ethyl acetate (2 x 400 ml). The combined organics were washed with 10% aqueous ammonia solution (400 ml), water (400 ml) and brine (500 ml), dried over anhydrous magnesium sulfate, filtered and evaporated to give an orange oil. Purification by chromatography on silica 5 gel eluting with isohexane on a gradient of ethyl acetate (2-4%) gave 2-bromo-6-fluorobenzonitrile. White solid, yield (18.5 g, 70%). δH (400 MHz, CDCl3) 7.17-7.23 (1H, ddd, J 8, 8 and 1), 7.44-7.52 (2H, m).
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| | 2-Bromo-6-fluorobenzonitrile Preparation Products And Raw materials |
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