4,5-Diaminophthalonitrile
- Product Name4,5-Diaminophthalonitrile
- CAS129365-93-1
- MFC8H6N4
- MW158.16
- EINECS
- MOL File129365-93-1.mol
Chemical Properties
| Melting point | 264°C(lit.) |
| Boiling point | 511.5±50.0 °C(Predicted) |
| Density | 1.35±0.1 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| form | powder to crystal |
| pka | -0.22±0.10(Predicted) |
| color | White to Brown |
| λmax | 325nm(CH3CN)(lit.) |
| InChI | 1S/C8H6N4/c9-3-5-1-7(11)8(12)2-6(5)4-10/h1-2H,11-12H2 |
| InChIKey | PCKAZQYWUDIFQM-UHFFFAOYSA-N |
| SMILES | Nc1cc(C#N)c(cc1N)C#N |
Safety Information
| Hazard Codes | T |
| Risk Statements | 20/21-25-36/37/38 |
| Safety Statements | 26-36/37-45 |
| RIDADR | 3439 |
| WGK Germany | 3 |
| HazardClass | 6.1 |
| PackingGroup | Ⅲ |
| HS Code | 2926907090 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |