Molecular Formula | C5H2BrN3 |
Molar Mass | 183.99 |
Density | 1.86±0.1 g/cm3(Predicted) |
Boling Point | 317.7±34.0 °C(Predicted) |
Flash Point | 145.9°C |
Water Solubility | Slightly soluble in water. |
Vapor Presure | 0.000379mmHg at 25°C |
Appearance | Crystallization |
Color | White to yellow |
pKa | -4.65±0.22(Predicted) |
Storage Condition | Inert atmosphere,2-8°C |
Sensitive | Moisture Sensitive |
Refractive Index | 1.617 |
MDL | MFCD02940446 |
Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R50 - Very Toxic to aquatic organisms |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S39 - Wear eye / face protection. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
UN IDs | 3077 |
TSCA | No |
HS Code | 29339900 |
Hazard Note | Irritant |
Hazard Class | 6.1 |
Packing Group | Ⅲ |
use | 5-bromo-2-cyanopyrimidine is a heterocyclic derivative that can be used as a pharmaceutical intermediate. There are reports that it can be used to prepare 5-hydroxypyrimidine-2-carboxylic acid. |
preparation | 5-bromo-2-chloropyrimidine (20g,103.40mmol, 1.00equiv), 1, 4-diaza-bicyclo [2.2.2] octane (2.32g) and potassium nitrile (6.72g,103.20mmol), 1.00equiv) mixed in water (54.2mL) and DMSO(80mL) stirred overnight at room temperature. Then add water (50mL), and the obtained solution is extracted with 3x100mL ether . The combined organic layer was dried with anhydrous sodium sulfate and vacuum concentrated to provide 16g(84%) of a yellow solid 5-bromo-2-cyanopyrimidine. |