104-49-4
| Name | 1,4-Phenylene diisocyanate |
| CAS | 104-49-4 |
| EINECS(EC#) | 203-207-6 |
| Molecular Formula | C8H4N2O2 |
| MDL Number | MFCD00002025 |
| Molecular Weight | 160.13 |
| MOL File | 104-49-4.mol |
Chemical Properties
| Appearance | white to light yellow crystals |
| 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) |
| Fp | >230 °F |
| solubility | THF: soluble |
| form | powder to crystal |
| color | White to Light yellow |
| Stability: | Stable. Combustible. Incompatible with strong oxidising agents, strong alkalies, strong acids, alcohols, amines. Moisture sensitive. |
| Water Solubility | 130mg/L at 20℃ |
| 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 | 104-49-4(EPA Substance) |
Safety Data
| 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 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | CZ6150000 |
| TSCA | TSCA listed |
| REACH Registrations | Active |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29291010 |
| 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 |