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| | Benzene, 1-bromo-4-(1,1-difluoroethyl)- Basic information |
| Product Name: | Benzene, 1-bromo-4-(1,1-difluoroethyl)- | | Synonyms: | Benzene, 1-bromo-4-(1,1-difluoroethyl)-;4-Bromo-alpha,alpha-difluoroethylbenzene;1-Bromo-4-(1,1-difluoroethyl)benzene 95%;1-Bromo-4-(1,1-difluoroethyl);4-(1,1-Difluoroethyl)phenyl bromide;4-(1,1-Difluoroethyl)bromobenzene;Bromo-4-(1,1-difluoroethyl)benzene | | CAS: | 1000994-95-5 | | MF: | C8H7BrF2 | | MW: | 221.04 | | EINECS: | | | Product Categories: | | | Mol File: | 1000994-95-5.mol |  |
| | Benzene, 1-bromo-4-(1,1-difluoroethyl)- Chemical Properties |
| Boiling point | 219.0±30.0 °C(Predicted) | | density | 1.495 g/mL at 25 °C | | refractive index | n20/D1.503 | | Fp | 82℃ | | storage temp. | Sealed in dry,Room Temperature | | form | Powder or Crystalline Powder | | color | Brown | | InChI | InChI=1S/C8H7BrF2/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,1H3 | | InChIKey | QXIBKCFAFRHORF-UHFFFAOYSA-N | | SMILES | C1(Br)=CC=C(C(F)(F)C)C=C1 |
| RIDADR | UN 2810 6.1 / PGIII | | WGK Germany | 3 | | HazardClass | 6.1 | | HS Code | 29036990 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2 |
| | Benzene, 1-bromo-4-(1,1-difluoroethyl)- Usage And Synthesis |
| Synthesis | Example 63A Synthesis of 1-bromo-4-(1,1-difluoroethyl)benzene: Under argon protection, 3.0 g (15.07 mmol) of 1-(4-bromophenyl)ethanone was dissolved in 30 mL of dichloromethane, followed by the slow addition of 15.9 mL (120.57 mmol) of [ethyl (trifluoro-lambda4-thioalkyl)amino]ethane (DAST). The reaction mixture was slowly warmed to 50 °C and stirred at this temperature overnight. Upon completion of the reaction, the reaction mixture was slowly poured into ice water. The organic phase was separated and the aqueous phase was extracted three times with dichloromethane. The organic phases were combined and dried with magnesium sulfate. After filtration, the solvent was removed by concentration under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: petroleum ether/dichloromethane=4:1) to afford 2.56 g (11.58 mmol, 77% yield) of 1-bromo-4-(1,1-difluoroethyl)benzene as a pale yellow liquid. gC-MS (Method 1): rt = 2.84 min; m/z = 220/222 (M)+. | | References | [1] Patent: US2012/172448, 2012, A1. Location in patent: Page/Page column 34
[2] Patent: US2010/305111, 2010, A1. Location in patent: Page/Page column 26
[3] Patent: US2011/21489, 2011, A1. Location in patent: Page/Page column 34-35
[4] Patent: EP2921489, 2015, A1. Location in patent: Paragraph 0110; 0111
[5] Patent: WO2015/160665, 2015, A1. Location in patent: Paragraph 00211 |
| | Benzene, 1-bromo-4-(1,1-difluoroethyl)- Preparation Products And Raw materials |
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