53312-80-4
4-Amino-2-fluorobenzonitrile
CAS: 53312-80-4
Molecular Formula: C7H5FN2
53312-80-4 - Names and Identifiers
| Name | 4-Amino-2-fluorobenzonitrile |
| Synonyms | ZR CF DCN ZR CF DCN [WLN] 4-Cyano-3-fluoroaniline Fluoro-4-amino-benzonitrile 4-Amino-2-fluorobenzonitrile 4-AMINO-2-FLUOROBENZONITRILE Benzonitrile, 4-amino-2-fluoro- |
| CAS | 53312-80-4 |
| InChI | InChI=1/C7H5FN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2 |
53312-80-4 - Physico-chemical Properties
| Molecular Formula | C7H5FN2 |
| Molar Mass | 136.13 |
| Density | 1.25±0.1 g/cm3(Predicted) |
| Boling Point | 288.2±25.0 °C(Predicted) |
| Flash Point | 128.1°C |
| Vapor Presure | 0.00237mmHg at 25°C |
| Appearance | Black crystal |
| pKa | 0.71±0.10(Predicted) |
| Storage Condition | 2-8°C(protect from light) |
| Refractive Index | 1.56 |
| MDL | MFCD07368709 |
53312-80-4 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Hazard Class | IRRITANT |
53312-80-4 - Reference Information
| introduction | 4-amino-2-fluorobenzonitrile is an organic intermediate, which can be prepared by the reaction of 4-bromo-3-fluoroaniline and Zn(CN)2. |
| Preparation | The mixture of 2-fluoro-4-nitrobenzonitrile (8.31g,50mmol) and tin chloride dihydrate (56.4g,250mmol) in 250mL EtOAc was heated overnight at 25°C. LCMS(78109-084) indicates that the reaction is complete. 25mL saturated K2CO3 was added to the reaction mixture. The resulting mixture was stirred at room temperature for 2h and then 100g of solid K2CO3 was added. Stir the mixture at room temperature for 2 hours. The solids are removed by filtration and further washed with EtOAc(50 mLx2). The filtrate was concentrated to obtain 6.81g(100%) 4-amino-2-fluorobenzonitrile, which is an off-white solid. |
Last Update：2024-04-09 15:16:39
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