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| | 3-BROMO-4-CHLOROANILINE Basic information |
| | 3-BROMO-4-CHLOROANILINE Chemical Properties |
| Melting point | 82°C | | Boiling point | 290.6±20.0℃ (760 Torr) | | density | 1.722±0.06 g/cm3 (20 ºC 760 Torr) | | Fp | 129.5±21.8℃ | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | form | powder to crystal | | pka | 2.89±0.10(Predicted) | | color | White to Brown | | InChI | 1S/C6H5BrClN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2 | | InChIKey | FVZODFVCIDBDGS-UHFFFAOYSA-N | | SMILES | NC1=CC=C(C(Br)=C1)Cl |
| Risk Statements | 20/21/22-33 | | Safety Statements | 36/37 | | RIDADR | 2811 | | HazardClass | 6.1 | | PackingGroup | Ⅲ | | HS Code | 29214200 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | 3-BROMO-4-CHLOROANILINE Usage And Synthesis |
| Description | 3-Bromo-4-chloroaniline can be used as an intermediate in pharmaceutical synthesis, such as the preparation of Vismodegib, the trade name is Erivedge, the chemical name is 2-chloro-N-(4-chloro-3 -(Pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide, developed by Curis, Genentech and Evotec in cooperation, was approved by the U.S. Food and Drug Administration (FDA) on January 30, 2012 ) marketing approval as a small molecule targeted inhibitor of the Hedgehog pathway for the treatment of basal cell carcinoma. | | Uses | 3-Bromo-4-chloroaniline is an amine derivative and can be used as an organic reagent. | | Synthesis | Dissolve p-chloronitrobenzene in sulfuric acid aqueous solution, slowly add bromine reagent (bromine or potassium bromate), and react to obtain 3-bromo-4-chloroaniline. | | References | [1] Patent: WO2005/103010, 2005, A2. Location in patent: Page/Page column 37-38 [2] Patent: WO2014/74422, 2014, A1. Location in patent: Paragraph 00183 [3] Organic Letters, 2016, vol. 18, # 11, p. 2774 - 2776 [4] Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, 1984, vol. 38, # 10, p. 877 - 884 [5] American Chemical Journal, 1899, vol. 22, p. 247 |
| | 3-BROMO-4-CHLOROANILINE Preparation Products And Raw materials |
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