3468-11-9
| Name | 1,3-Diiminoisoindoline |
| CAS | 3468-11-9 |
| EINECS(EC#) | 222-426-8 |
| Molecular Formula | C8H7N3 |
| MDL Number | MFCD00010062 |
| Molecular Weight | 145.161 |
| MOL File | 3468-11-9.mol |
Chemical Properties
| Melting point | ~197 °C (dec.)(lit.) |
| Boiling point | 254.27°C (rough estimate) |
| density | 1.2109 (rough estimate) |
| vapor pressure | 0.003Pa at 20℃ |
| refractive index | 1.5400 (estimate) |
| storage temp. | -20°C Freezer, Under inert atmosphere |
| solubility | DMSO (Slightly, Sonicated), Methanol (Slightly) |
| form | Solid |
| pka | 8.47±0.20(Predicted) |
| color | Pale Yellow |
| Water Solubility | 31.6g/L at 20℃ |
| BRN | 118477 |
| Major Application | diagnostic assay manufacturing hematology histology |
| InChI | 1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11) |
| InChIKey | RZVCEPSDYHAHLX-UHFFFAOYSA-N |
| SMILES | N=C1NC(=N)c2ccccc12 |
| LogP | 0.62 at 20℃ |
| CAS DataBase Reference | 3468-11-9(CAS DataBase Reference) |
| EPA Substance Registry System | 3468-11-9(EPA Substance) |
Safety Data
| Symbol(GHS) |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H315-H318-H335 |
| Precautionary statements | P261-P280-P305+P351+P338 |
| Hazard Codes | Xi,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN3077 |
| WGK Germany | 3 |
| RTECS | NR3500000 |
| F | 3-9-34 |
| TSCA | TSCA listed |
| REACH Registrations | Active |
| HazardClass | 9 |
| HS Code | 29252900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |
| Safety Profile |