16136-52-0
| Name | 4-Cyanoindole |
| CAS | 16136-52-0 |
| EINECS(EC#) | 627-196-6 |
| Molecular Formula | C9H6N2 |
| MDL Number | MFCD01076559 |
| Molecular Weight | 142.16 |
| MOL File | 16136-52-0.mol |
Chemical Properties
| Melting point | 117-121 °C (lit.) |
| Boiling point | 350.0±15.0 °C(Predicted) |
| density | 1.24±0.1 g/cm3(Predicted) |
| storage temp. | −20°C |
| form | Solid |
| pka | 15.17±0.30(Predicted) |
| color | Off-white to pale brown |
| Water Solubility | Soluble in water. |
| InChI | 1S/C9H6N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H |
| InChIKey | CEUFGDDOMXCXFW-UHFFFAOYSA-N |
| SMILES | N#Cc1cccc2[nH]ccc12 |
| CAS DataBase Reference | 16136-52-0(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302-H315-H317-H318-H335 |
| Precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 |
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3439 |
| WGK Germany | 3 |
| F | 8-10-34 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |