4-Cyanophenyl isocyanate
- Product Name4-Cyanophenyl isocyanate
- CAS40465-45-0
- MFC8H4N2O
- MW144.13
- EINECS254-934-0
- MOL File40465-45-0.mol
Chemical Properties
| Melting point | 101-104 °C (lit.) |
| Boiling point | 262.72°C (rough estimate) |
| Density | 1.2851 (rough estimate) |
| refractive index | 1.4900 (estimate) |
| storage temp. | 2-8°C |
| form | Crystalline Needles or Solid |
| color | Off-white to beige |
| Water Solubility | insoluble (dec) |
| InChI | 1S/C8H4N2O/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H |
| InChIKey | TVSXDZNUTPLDKY-UHFFFAOYSA-N |
| SMILES | O=C=Nc1ccc(cc1)C#N |
| CAS DataBase Reference | 40465-45-0(CAS DataBase Reference) |
| EPA Substance Registry System | Benzonitrile, 4-isocyanato- (40465-45-0) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-36/37/39 |
| RIDADR | UN 2206 6.1/PG 3 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| HS Code | 2929100090 |
| 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 |
