3-Cyanoindole
- Product Name3-Cyanoindole
- CAS5457-28-3
- MFC9H6N2
- MW142.16
- EINECS212-232-1
- MOL File5457-28-3.mol
Chemical Properties
| Melting point | 179-182 °C (lit.) |
| Boiling point | 249.72°C (rough estimate) |
| Density | 1.1777 (rough estimate) |
| refractive index | 1.6211 (estimate) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 14.61±0.30(Predicted) |
| color | Orange to Brown |
| Water Solubility | Insoluble in water. |
| Sensitive | Air & Light Sensitive |
| BRN | 120888 |
| InChI | InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H |
| InChIKey | CHIFTAQVXHNVRW-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(C#N)=C1 |
| CAS DataBase Reference | 5457-28-3(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Indolecarbonitrile(5457-28-3) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-37/39-36/37/39 |
| RIDADR | 3439 |
| WGK Germany | 3 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29339900 |
