26947-41-1
| Name | 3-Isoquinolinecarbonitrile |
| CAS | 26947-41-1 |
| EINECS(EC#) | 620-659-3 |
| Molecular Formula | C10H6N2 |
| MDL Number | MFCD00075136 |
| Molecular Weight | 154.17 |
| MOL File | 26947-41-1.mol |
Chemical Properties
| Melting point | 126-128 °C (lit.) |
| Boiling point | 348.9±15.0 °C(Predicted) |
| density | 1.21±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| form | Crystalline Powder |
| pka | 0.57±0.30(Predicted) |
| color | White to yellow |
| Water Solubility | Insoluble in water. |
| BRN | 114887 |
| InChI | 1S/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H |
| InChIKey | GXXBVBVNGMCFIU-UHFFFAOYSA-N |
| SMILES | N#Cc1cc2ccccc2cn1 |
| CAS DataBase Reference | 26947-41-1(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3439 |
| WGK Germany | 3 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29334900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |