1,3-Bis(isocyanatomethyl)benzene
- Product Name1,3-Bis(isocyanatomethyl)benzene
- CAS3634-83-1
- MFC10H8N2O2
- MW188.18
- EINECS222-852-4
- MOL File3634-83-1.mol
Chemical Properties
| Melting point | -7°C |
| Boiling point | 88-90 °C/0.02 mmHg (lit.) |
| Density | 1.202 g/mL at 20 °C (lit.) |
| vapor pressure | 0.021Pa at 20℃ |
| refractive index | n |
| Flash point | 42°C |
| storage temp. | 2-8°C |
| solubility | Chloroform (Sparingly), Methanol (Slightly) |
| form | clear liquid |
| color | Colorless to Light yellow |
| BRN | 781825 |
| Stability | Hygroscopic, Moisture sensitive |
| InChI | 1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2 |
| InChIKey | RTTZISZSHSCFRH-UHFFFAOYSA-N |
| SMILES | O=C=NCc1cccc(CN=C=O)c1 |
| LogP | 3.215 (est) |
| CAS DataBase Reference | 3634-83-1(CAS DataBase Reference) |
| EPA Substance Registry System | 1,3-Bis(isocyanatomethyl)benzene (3634-83-1) |
Safety Information
| Hazard Codes | C |
| Risk Statements | 10-34-42 |
| Safety Statements | 16-23-26-36/37/39-45 |
| RIDADR | UN 2920 8/PG 2 |
| WGK Germany | 2 |
| RTECS | NR0147000 |
| F | 8-10-19-21 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29291090 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 2 Inhalation Aquatic Chronic 3 Eye Dam. 1 Flam. Liq. 3 Resp. Sens. 1 Skin Irrit. 2 Skin Sens. 1A STOT RE 1 Inhalation STOT SE 1 Inhalation |
| Toxicity | mouse,LD50,oral,840mg/kg (840mg/kg),Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 39, Pg. 202, 1980. |
