Name | 3-Bromo-2-cyanopyridine |
Synonyms | Zinc00331841 3-bromopicolinonitrile 2-Bromo-3-cyanopyridine 3-BROMO-2-CYANOPYRIDINE 3-Bromo-2-cyanopyridine 2-Cyano-3-broMopyridine 3-Bromopyridine-2-carbonitrile 3-BROMO-2-PYRIDINECARBONITRILE 3-BROMO-PYRIDINE-2-CARBONITRILE 2-Pyridinecarbonitrile, 3-bromo- |
CAS | 55758-02-6 |
InChI | InChI=1/C6H3BrN2/c7-5-2-1-3-9-6(5)4-8/h1-3H |
InChIKey | HCOPIUVJCIZALB-UHFFFAOYSA-N |
Molecular Formula | C6H3BrN2 |
Molar Mass | 183.01 |
Density | 1.72±0.1 g/cm3(Predicted) |
Melting Point | 93-98 °C |
Boling Point | 120°C/4mm |
Flash Point | 120°C/4mm |
Vapor Presure | 0.00153mmHg at 25°C |
Appearance | White-like crystal |
Color | White to pale brown |
pKa | -2.68±0.10(Predicted) |
Storage Condition | Inert atmosphere,Room Temperature |
Refractive Index | 1.611 |
MDL | MFCD02683288 |
Risk Codes | R22 - Harmful if swallowed R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection. |
UN IDs | UN3439 |
WGK Germany | 3 |
HS Code | 29333990 |
Hazard Note | Irritant |
Hazard Class | 6.1 |
Packing Group | III |
Application | 3-bromo-2-cyanopyridine is a pyridine derivative, which is an important intermediate, it is widely used in pharmaceutical chemistry, organic synthesis and material chemistry. |
synthesis method | at ultra-low temperature (-78 ℃),2, 3-dibromopyridine is reacted with N-butyl lithium Li-Br first, and then N,N-dimethylformamide (DMF) or tert-butyl isocyanate is added to give the corresponding aldehyde or amide, after condensation reaction, 3-bromo-2-cyanopyridine was obtained. In this method, the Li-Br exchange reaction is carried out under ultra-low temperature conditions and at a very dilute reaction concentration [m (substrate): v (solvent) = 1G: 50ml], which is not conducive to industrial production. The synthesis reaction formula is as follows: |