1,4-Phenylene diisocyanate
- Product Name1,4-Phenylene diisocyanate
- CAS104-49-4
- CBNumberCB5409756
- MFC8H4N2O2
- MW160.13
- EINECS203-207-6
- MDL NumberMFCD00002025
- MOL File104-49-4.mol
Chemical Properties
| Melting point: | 96-99 °C (lit.) |
| Boiling point: | 260 °C (lit.) |
| Density | 1.3848 (rough estimate) |
| vapor pressure | <0.01 mm Hg ( 20 °C) |
| refractive index | 1.4900 (estimate) |
| Flash point: | >230 °F |
| solubility | THF: soluble |
| form | powder to crystal |
| color | White to Light yellow |
| Water Solubility | 130mg/L at 20℃ |
| Stability: | Stable. Combustible. Incompatible with strong oxidising agents, strong alkalies, strong acids, alcohols, amines. Moisture sensitive. |
| InChI | 1S/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H |
| InChIKey | ALQLPWJFHRMHIU-UHFFFAOYSA-N |
| SMILES | O=C=Nc1ccc(cc1)N=C=O |
| LogP | 3.19 at 20℃ |
| CAS DataBase Reference | 104-49-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1,4-diisocyanato-(104-49-4) |
| EPA Substance Registry System | 1,4-Phenylene diisocyanate (104-49-4) |
Safety
| Symbol(GHS) |
   GHS06,GHS08,GHS09 |
|||||||||
| Signal word | Danger | |||||||||
| Hazard statements | H315-H317-H319-H330-H334-H411 | |||||||||
| Precautionary statements | P260-P273-P280-P302+P352-P304+P340+P310-P305+P351+P338 | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Faceshields, Gloves | |||||||||
| Hazard Codes | Xn,C | |||||||||
| Risk Statements | 20/21/22-36/37/38-42-34-41-38 | |||||||||
| Safety Statements | 22-26-36/37-45-36/37/39 | |||||||||
| RIDADR | UN 2811 6.1/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | CZ6150000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2929109000 | |||||||||
| Storage Class |
6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
|||||||||
| Hazard Classifications |
Acute Tox. 2 Inhalation Aquatic Chronic 2 Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 Skin Sens. 1 |
|||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 0.5 Kg (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704: |
|