5-Bromopyrimidine-2-carbonitrile
- CAS NO.：38275-57-9
- Empirical Formula: C5H2BrN3
- Molecular Weight: 183.99
- MDL number: MFCD02940446
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-04-24 14:58:57
What is 5-Bromopyrimidine-2-carbonitrile?
Chemical properties
Light yellow crystalline/powder
The Uses of 5-Bromopyrimidine-2-carbonitrile
5-Bromo-2-cyanopyrimidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.
Preparation
5-Bromopyrimidine-2-carbonitrile is a pharmaceutical intermediate that can be obtained by reacting 5-bromo-2-chloropyrimidine with potassium nitride. It can also be obtained as follow: 5-Bromo-2-chloropyrimidine (7.51 g, 38.83 mmol), dissolved in DMSO (20 mL), is added to a mixture of NaCN (1.9 g, 38.83 mmol) and l,4-diazabicyclo[2,2,2]octane (0.87 g, 7.77 mmol) in DMSO (10 mL) and water (20 mL). The mixture is stirred overnight, and then water (100 mL) is added. The mixture is extracted with ether (3x100 mL). The combined organic layer is dried (Na2SO4), filtered, and concentrated in vacuo to afford 5-Bromopyrimidine-2-carbonitrile as a solid.
Properties of 5-Bromopyrimidine-2-carbonitrile
| Boiling point: | 317.7±34.0 °C(Predicted) |
| Density | 1.86±0.1 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,2-8°C |
| form | Solid |
| pka | -4.65±0.22(Predicted) |
| color | White to yellow |
| Water Solubility | Slightly soluble in water. |
| Sensitive | Moisture Sensitive |
| InChI | InChI=1S/C5H2BrN3/c6-4-2-8-5(1-7)9-3-4/h2-3H |
| CAS DataBase Reference | 38275-57-9(CAS DataBase Reference) |
Safety information for 5-Bromopyrimidine-2-carbonitrile
| Signal word | Danger |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation 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. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 5-Bromopyrimidine-2-carbonitrile
| InChIKey | VPQICCOHFSGBMA-UHFFFAOYSA-N |
| SMILES | C1(C#N)=NC=C(Br)C=N1 |
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