1 3-Phenylene diisothiocyanate 97
- Product Name1 3-Phenylene diisothiocyanate 97
- CAS3125-77-7
- MFC8H4N2S2
- MW192.26
- EINECS
- MOL File3125-77-7.mol
Chemical Properties
| Melting point | 56 °C (dec.) (lit.) |
| Boiling point | 358.8±25.0 °C(Predicted) |
| Density | 1.3675 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| storage temp. | 2-8°C |
| form | solid |
| Water Solubility | 3.845mg/L(25 ºC) |
| InChI | 1S/C8H4N2S2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H |
| InChIKey | BOLANQNHTGVOMY-UHFFFAOYSA-N |
| SMILES | S=C=Nc1cccc(c1)N=C=S |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-36/37/38-42 |
| Safety Statements | 22-26-36/37 |
| RIDADR | UN 3335 |
| WGK Germany | 3 |
| RTECS | NX9160000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 STOT SE 3 |
