1198-30-7
| Name | 1-Isoquinolinecarbonitrile |
| CAS | 1198-30-7 |
| EINECS(EC#) | 627-280-2 |
| Molecular Formula | C10H6N2 |
| MDL Number | MFCD00134166 |
| Molecular Weight | 154.17 |
| MOL File | 1198-30-7.mol |
Chemical Properties
| Melting point | 90-92 °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 |
| pka | -0.48±0.30(Predicted) |
| Appearance | White to off-white Solid |
| Water Solubility | Insoluble in water. |
| BRN | 119104 |
| InChI | InChI=1S/C10H6N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H |
| InChIKey | HJHXYSBRTVFEDD-UHFFFAOYSA-N |
| SMILES | C1(C#N)C2=C(C=CC=C2)C=CN=1 |
| CAS DataBase Reference | 1198-30-7(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3276 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 2933499090 |
| 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 |