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| | 2-Fluoro-5-bromobenzotrifluoride Basic information |
| | 2-Fluoro-5-bromobenzotrifluoride Chemical Properties |
| Melting point | 203 °C(Solv: hexane (110-54-3)) | | Boiling point | 79-80 °C/50 mmHg (lit.) | | density | 1.72 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.462(lit.) | | Fp | >230 °F | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | Liquid | | color | Clear colorless to pale yellow | | Specific Gravity | 1.720 | | Water Solubility | Soluble in water 700 g/L (20°C) | | BRN | 2643550 | | InChI | InChI=1S/C7H3BrF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H | | InChIKey | AJLIJYGWAXPEOK-UHFFFAOYSA-N | | SMILES | C1(F)=CC=C(Br)C=C1C(F)(F)F | | CAS DataBase Reference | 393-37-3(CAS DataBase Reference) |
| | 2-Fluoro-5-bromobenzotrifluoride Usage And Synthesis |
| Chemical Properties | Colorless liquid | | Uses | Pharmaceutical Intermediates. | | Uses | 5-Bromo-2-fluorobenzotrifluoride may be used in the preparation of:
- 3,5-bis(4-fluoro-3-trifluoromethylphenyl)phenol
- 9,9-bis(2-ethylhexyl)-2,7-bis[4-fluoro-3-trifluoromethylphenyl]-9H-fluorene
- 3-trifluoromethyl-4-fluoro phenyl boronic acid
| | Synthesis Reference(s) | Journal of the American Chemical Society, 69, p. 2022, 1947 DOI: 10.1021/ja01200a060 | | General Description | 5-Bromo-2-fluorobenzotrifluoride is commonly used in the preparation poly(arylene ether)s (PAEs). | | Synthesis | The general procedure for synthesizing 2-fluoro-5-bromobenzotrifluoride from 2-fluorobenzotrifluoride was as follows: referring to Example 4, 400 g of concentrated sulfuric acid, 400 g of 2-fluorobenzotrifluoride, 20 g of lithium bromide, 20 g of ferric bromide, 20 g of tetrabutylammonium bromide, and 273.17 g of bromine were added to a 2000 mL three-necked flask, in sequence. The reaction temperature was controlled to be between 35-45°C. Samples were taken after 6 hours of reaction and showed 0.36% of raw material remaining by gas chromatography (GC). The reaction mixture was cooled to below 30 °C, transferred to a 2000 mL dispensing funnel and allowed to stand for 1 h to separate the acid layer. The crude product was transferred to a 2000 mL flask and 1000 g of water was added under stirring and the pH was adjusted to 7 by adding 10% sodium hydroxide solution dropwise to give 550.3 g of 2-fluoro-5-bromobenzotrifluoride crude oil in 92.84% yield. The crude oil was distilled under reduced pressure to obtain 517.18 g of pure product with a yield of 93.98% and a product purity of 95.9%. | | References | [1] Patent: CN105152853, 2017, B. Location in patent: Paragraph 0029 |
| | 2-Fluoro-5-bromobenzotrifluoride Preparation Products And Raw materials |
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