3,6-Dihydroxyphthalonitrile
- Product Name3,6-Dihydroxyphthalonitrile
- CAS4733-50-0
- MFC8H4N2O2
- MW160.13
- EINECS225-241-0
- MOL File4733-50-0.mol
Chemical Properties
| Melting point | >230 °C (dec.) (lit.) |
| Boiling point | 286.01°C (rough estimate) |
| Density | 1.3848 (rough estimate) |
| refractive index | 1.4900 (estimate) |
| storage temp. | Store below +30°C. |
| form | Crystalline Powder or Needles |
| pka | 6.21±0.23(Predicted) |
| color | Khaki to brown |
| Water Solubility | Soluble in hot water |
| BRN | 2101249 |
| InChI | InChI=1S/C8H4N2O2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-2,11-12H |
| InChIKey | MPAIWVOBMLSHQA-UHFFFAOYSA-N |
| SMILES | C1(C#N)=C(O)C=CC(O)=C1C#N |
| CAS DataBase Reference | 4733-50-0(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,Xn |
| Risk Statements | 36/37/38-20/21/22 |
| Safety Statements | 26-37/39-36/37/39 |
| RIDADR | UN 2811 6.1/PG III |
| WGK Germany | 3 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 |
