S-Benzylisothiourea hydrochloride
- Product NameS-Benzylisothiourea hydrochloride
- CAS5388-28-3
- CBNumberCB3104987
- MFC6H6N4
- MW134.14
- EINECS208-688-6
- MDL NumberMFCD11505292
- MOL File5388-28-3.mol
Chemical Properties
| Melting point | 172-177 °C |
| Boiling point | 316.362±34.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.222±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| form | solid |
| pka | 0.745±0.10(predicted) |
| InChI | 1S/C6H6N4/c1-8-6-9-3-5(2-7)4-10-6/h3-4H,1H3,(H,8,9,10) |
| InChIKey | MCZXXEZSKWAWME-UHFFFAOYSA-N |
| SMILES | CNc1ncc(cn1)C#N |
| CAS DataBase Reference | 5388-28-3(CAS DataBase Reference) |
| UNSPSC Code | 12352200 |
| NACRES | NA.21 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302-H317 |
| Precautionary statements | P280 |
| Hazard Codes | T |
| Risk Statements | 25-43 |
| Safety Statements | 36/37/39-45-36/37 |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | UM0738000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Skin Sens. 1 |