5-Bromo-2,4-dichloropyrimidine
- CAS NO.：36082-50-5
- Empirical Formula: C4HBrCl2N2
- Molecular Weight: 227.87
- MDL number: MFCD00127818
- EINECS: 629-358-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-08 17:36:13
What is 5-Bromo-2,4-dichloropyrimidine?
Chemical properties
Colourless Oil
The Uses of 5-Bromo-2,4-dichloropyrimidine
5-Bromo-2,4-dichloropyrimidine may be employed as starting reagent for the synthesis of positive allosteric modulators for GABAB receptors (drug-like class of compounds) and pyridinepyrimidine analogs.
The Uses of 5-Bromo-2,4-dichloropyrimidine
Starting material for the synthesis of trisubstituted pyrimidines via a combination of nucleophilic substitution and palladium-catalyzed aryl cross-coupling.1
What are the applications of Application
5-Bromo-2,4-dichloropyrimidine is a starting material for the synthesis of trisubstituted pyrimidines
General Description
5-Bromo-2,4-dichloropyrimidine is a halogenoprimidine. It has been reported as an intermediate during the synthesis of 2,4-di-t-butoxy-5-bromopyrimidine and 2,4-di-t-butoxy-5-pyrimidineboronic acid.
Properties of 5-Bromo-2,4-dichloropyrimidine
| Melting point: | 29-30 °C (lit.) |
| Boiling point: | 128 °C/15 mmHg (lit.) |
| Density | 1.781 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Chloroform (Slightly), Ether (Slightly), Ethyl Acetate (Slightly), Toluene (Slig |
| pka | -4.26±0.29(Predicted) |
| form | Liquid or Low Melting Solid |
| color | Clear colorless to light yellow |
| Specific Gravity | 1.781 |
| BRN | 124441 |
| InChI | InChI=1S/C4HBrCl2N2/c5-2-1-8-4(7)9-3(2)6/h1H |
| CAS DataBase Reference | 36082-50-5(CAS DataBase Reference) |
Safety information for 5-Bromo-2,4-dichloropyrimidine
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. 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-2,4-dichloropyrimidine
| InChIKey | SIKXIUWKPGWBBF-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=C(Br)C(Cl)=N1 |
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