1122-28-7
| Name | 1H-Imidazole-4,5-dicarbonitrile |
| CAS | 1122-28-7 |
| EINECS(EC#) | 214-344-6 |
| Molecular Formula | C5H2N4 |
| MDL Number | MFCD00005194 |
| Molecular Weight | 118.1 |
| MOL File | 1122-28-7.mol |
Chemical Properties
| Appearance | White to off white crystalline powder. |
| Melting point | 168-175 °C(lit.) |
| Boiling point | 569.3±35.0 °C(Predicted) |
| density | 0.791 g/mL at 25 °C |
| Fp | 50 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Soluble in Acetonitrile: 1.8g/10ml, DMSO, Methanol. |
| form | Crystalline Powder |
| pka | 5.01±0.10(Predicted) |
| color | solid white |
| Detection Methods | HPLC |
| BRN | 118208 |
| InChI | InChI=1S/C5H2N4/c6-1-4-5(2-7)9-3-8-4/h3H,(H,8,9) |
| InChIKey | XGDRLCRGKUCBQL-UHFFFAOYSA-N |
| SMILES | C1NC(C#N)=C(C#N)N=1 |
| CAS DataBase Reference | 1122-28-7(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H315-H318-H335 |
| Precautionary statements | P261-P280-P305+P351+P338 |
| Hazard Codes | Xi,Xn,F |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1648 3/PG 2 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29332900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |