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| | 1-(2-Bromoethyl)-4-(trifluoromethyl)benzene, 2-(4-Trifluoromethylphenyl)ethyl bromide Basic information |
| | 1-(2-Bromoethyl)-4-(trifluoromethyl)benzene, 2-(4-Trifluoromethylphenyl)ethyl bromide Chemical Properties |
| Boiling point | 218.0±35.0 °C(Predicted) | | density | 1.499 g/mL at 25 °C | | refractive index | n20/D 1.487 | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | liquid | | Appearance | Colorless to light yellow Liquid | | InChI | 1S/C9H8BrF3/c10-6-5-7-1-3-8(4-2-7)9(11,12)13/h1-4H,5-6H2 | | InChIKey | WTCVMJLGKMOROW-UHFFFAOYSA-N | | SMILES | FC(F)(F)c1ccc(CCBr)cc1 |
| Hazard Codes | Xn,N | | Risk Statements | 22-36-51/53 | | Safety Statements | 26-61 | | RIDADR | UN 3082 9/PG 3 | | WGK Germany | 3 | | HS Code | 2903998090 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2 |
| | 1-(2-Bromoethyl)-4-(trifluoromethyl)benzene, 2-(4-Trifluoromethylphenyl)ethyl bromide Usage And Synthesis |
| Synthesis | Step ii: Synthesis of 1-(2-bromoethyl)-4-(trifluoromethyl)benzene
To a 50 mL round bottom flask was added 2-(4-(trifluoromethyl)phenyl)ethanol (7.9 g, 0.0415 mol) and phosphorus tribromide (5.6 g, 0.0207 mol). The reaction mixture was stirred at 100 °C for 2 hours. After completion of the reaction, the reaction was quenched by adding ice-cold water to the mixture. The reaction mixture was extracted with hexane and the organic layer was separated. The organic layer was washed with brine and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure to give the crude product. The crude product was purified by column chromatography using 60-120 mesh silica gel as stationary phase and 0-5% ethyl acetate in hexane solution as eluent to give 4-(trifluoromethyl)phenylethyl bromide (7.8 g, 74% yield).
1H NMR (300 MHz, CDCl3): δ 7.60 (d, 2H), 7.35 (d, 2H), 3.61 (t, 2H), 3.25 (t, 2H). | | References | [1] Patent: WO2015/101928, 2015, A1. Location in patent: Page/Page column 127;
[2] Patent: WO2005/123748, 2005, A1. Location in patent: Page/Page column 97-98
[3] Patent: WO2005/49613, 2005, A1. Location in patent: Page/Page column 48-49
[4] Patent: WO2007/69986, 2007, A1. Location in patent: Page/Page column 87 |
| | 1-(2-Bromoethyl)-4-(trifluoromethyl)benzene, 2-(4-Trifluoromethylphenyl)ethyl bromide Preparation Products And Raw materials |
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