5413-85-4
| Name | 5-Amino-4,6-dichloropyrimidine |
| CAS | 5413-85-4 |
| EINECS(EC#) | 226-503-7 |
| Molecular Formula | C4H3Cl2N3 |
| MDL Number | MFCD00006108 |
| Molecular Weight | 163.99 |
| MOL File | 5413-85-4.mol |
Chemical Properties
| Appearance | Yellowish-brown crystals or powder |
| Melting point | 145-148 °C (lit.) |
| Boiling point | 270.44°C (rough estimate) |
| density | 1.6662 (rough estimate) |
| refractive index | 1.6300 (estimate) |
| storage temp. | 2-8°C |
| solubility | slightly soluble |
| form | Crystals or Powder |
| pka | -3.01±0.26(Predicted) |
| color | Yellow-brown |
| Water Solubility | slightly soluble |
| Sensitive | Moisture Sensitive |
| BRN | 126885 |
| InChI | 1S/C4H3Cl2N3/c5-3-2(7)4(6)9-1-8-3/h1H,7H2 |
| InChIKey | NIGDWBHWHVHOAD-UHFFFAOYSA-N |
| SMILES | Nc1c(Cl)ncnc1Cl |
| CAS DataBase Reference | 5413-85-4(CAS DataBase Reference) |
| NIST Chemistry Reference | 5-Amino-4,6-dichloropyrimidine(5413-85-4) |
| EPA Substance Registry System | 5413-85-4(EPA Substance) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| F | 10-21 |
| TSCA | Yes |
| HS Code | 29335900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
