Molecular Formula | C5H3BrFN |
Molar Mass | 175.99 |
Density | 1.707±0.06 g/cm3(Predicted) |
Melting Point | 24-28°C |
Boling Point | 78 °C / 11mmHg |
Flash Point | 148°F |
Vapor Presure | 4.45mmHg at 25°C |
Appearance | Low Melting Solid or Liquid |
Color | Colorless to white |
pKa | 0.45±0.20(Predicted) |
Storage Condition | Inert atmosphere,Room Temperature |
Refractive Index | 1.533 |
MDL | MFCD04112555 |
Risk Codes | R22 - Harmful if swallowed R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R10 - Flammable |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection. S36 - Wear suitable protective clothing. S16 - Keep away from sources of ignition. |
UN IDs | UN2811 |
WGK Germany | 3 |
HS Code | 29333990 |
Hazard Note | Irritant |
Hazard Class | 6.1 |
Introduction | 5-bromo-3-fluoropyridine is an organic intermediate, which can be prepared from 3, 5-dibromopyridine by one-step reaction with NFSI, or It is prepared from 5-bromonicotinamide through two-step reaction. |
preparation | under nitrogen, 3, 5-dibromopyridine (1.21g) was added to a 50 mL Schlenk flask containing THF(5.0 mL). At 0°C, i-PrMgCl · LiCl(5.5 mmol) of THF(1.16 M,4.7 mL) was added to the flask. The reaction mixture was stirred at 0°C for 1 hour. Vacuum removes solvent (0.5 mbar,40°C,0.5 hours). CH2Cl2(5 mL) was added to the reaction mixture, and NFSI(1.89g,6 mmol) in CH2Cl2(15 mL) and perfluorodecalin (5 mL) was slowly added to the reaction mixture at -78°C. Stir the reaction mixture at 0°C for 30 minutes. The reaction mixture was stirred at 25°C for 2 hours, the reaction mixture was poured into an ice-cold saturated aqueous solution of NH4Cl (50 mL), the reaction mixture was extracted with CH2Cl2(3 × 50 mL), and the organic layer was dried with Na2SO4. Filter the organic layer, concentrate the organic layer in vacuum, use pentane/ Et2O(20:1) as the eluent, and purify the crude residue by column chromatography (SiO2) to obtain 5-bromo-3-fluoropyridine. |