5-Bromo-3-nitropyridine-2-carbonitrile
- CAS NO.：573675-25-9
- Empirical Formula: C6H2BrN3O2
- Molecular Weight: 228
- MDL number: MFCD06657551
- EINECS: 629-442-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-03 17:07:09
What is 5-Bromo-3-nitropyridine-2-carbonitrile?
Chemical properties
Yellow to light yellow crystals
The Uses of 5-Bromo-3-nitropyridine-2-carbonitrile
Used as an intermediate in organic synthesis.
Synthesis
To a stirred solution of 2,5-dibromo-3-nitro-pyridine (25 g, 88.68 mmol) in propionitrile (100 ml) was added CuCN (8.7 g, 97.55 mmol) and the mixture was heated to 90°C. for 17 h. Then it was allowed to cool to room temperature, diluted with EtOAc, washed twice with brine, dried with Na2SO4 and concentrated. The remaining residue was purified by chromatography (silica gel; DCM/MeOH 95:5- 85:15) to obtain 5-Bromo-3-nitropyridine-2-carbonitrile. Yellow solid, yield 17.5 g, 68%.
Properties of 5-Bromo-3-nitropyridine-2-carbonitrile
| Melting point: | 101-106 °C |
| Boiling point: | 348.9±42.0 °C(Predicted) |
| Density | 1.92±0.1 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,Room Temperature |
| form | powder to crystal |
| pka | -6.71±0.20(Predicted) |
| color | Light orange to Yellow to Green |
| CAS DataBase Reference | 573675-25-9(CAS DataBase Reference) |
Safety information for 5-Bromo-3-nitropyridine-2-carbonitrile
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 5-Bromo-3-nitropyridine-2-carbonitrile
| InChIKey | OBVYONPVHIOJJZ-UHFFFAOYSA-N |
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