3-Cyanophenyl isocyanate
- Product Name3-Cyanophenyl isocyanate
- CAS16413-26-6
- MFC8H4N2O
- MW144.13
- EINECS
- MOL File16413-26-6.mol
Chemical Properties
| Melting point | 51-54 °C(lit.) |
| Boiling point | 262.72°C (rough estimate) |
| Density | 1.2851 (rough estimate) |
| refractive index | 1.4900 (estimate) |
| form | Low Melting Solid |
| color | Off-white to slightly yellow |
| Sensitive | Moisture Sensitive |
| BRN | 3089117 |
| InChI | 1S/C8H4N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H |
| InChIKey | NZHPVPMRNASEQK-UHFFFAOYSA-N |
| SMILES | O=C=Nc1cccc(c1)C#N |
| CAS DataBase Reference | 16413-26-6(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 7-26-27-37/39-36/37/39 |
| RIDADR | 2206 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29291000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |