2,4-Dichloro-6-phenyl-1,3,5-triazine
- CAS NO.：1700-02-3
- Empirical Formula: C9H5Cl2N3
- Molecular Weight: 226.06
- MDL number: MFCD00047340
- EINECS: 216-928-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-11 17:04:31
What is 2,4-Dichloro-6-phenyl-1,3,5-triazine?
Description
2,4-Dichloro-6-phenyl-1,3,5-triazine is a heterocyclic derivative and can be used as intermediate of synthetic materials.
Chemical properties
White to Orange to Green powder to crystal.
The Uses of 2,4-Dichloro-6-phenyl-1,3,5-triazine
2,4-Dichloro-6-phenyl-1,3,5-triazine, is a building block as an OLED intermediate for the synthesis of bipolar host materials such as 2,4,6-tris(4-(N,N-diphenylamino)phenyl)-1,3,5-triazine (TDPA–TRZ) for phosphorescent organic light-emitting diodes (PhOLED).
Synthesis
2,4-Dichloro-6-phenyl-1,3,5-triazine was prepared by reaction of 36.2 g (0.21 mol) of 2,4-dihydroxy-6-phenyl-1 ,3,5-triazine with 180 g (1.51 mol) of thionyl chloride and 17.3 g of N,N-dimethylformamide (DMF) at 60°C for 3 h. The excess thionyl chloride was distilled,and the residue was poured into water to give a product.The white product was filtered off, dried, and recrys-tallized from benzene to give a yield of 22.0 g (47.4%).
Properties of 2,4-Dichloro-6-phenyl-1,3,5-triazine
| Melting point: | gt. 119.0 to 123.0 °C |
| Boiling point: | 136°C/1mmHg(lit.) |
| Density | 1.428±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | -1.67±0.10(Predicted) |
| color | White to Orange to Green |
| InChI | InChI=1S/C9H5Cl2N3/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H |
| CAS DataBase Reference | 1700-02-3(CAS DataBase Reference) |
Safety information for 2,4-Dichloro-6-phenyl-1,3,5-triazine
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for 2,4-Dichloro-6-phenyl-1,3,5-triazine
| InChIKey | AMEVJOWOWQPPJQ-UHFFFAOYSA-N |
| SMILES | N1=C(C2=CC=CC=C2)N=C(Cl)N=C1Cl |
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