(2H)1,4-Benzothiazin-3(4H)-one
- Product Name(2H)1,4-Benzothiazin-3(4H)-one
- CAS5325-20-2
- MFC8H7NOS
- MW165.21
- EINECS226-197-5
- MOL File5325-20-2.mol
Chemical Properties
| Melting point | 176-178 °C(lit.) |
| Boiling point | 272.25°C (rough estimate) |
| Density | 1.1979 (rough estimate) |
| refractive index | 1.6458 (estimate) |
| storage temp. | 2-8°C |
| pka | 12.90±0.20(Predicted) |
| form | powder to crystal |
| color | White to Orange to Green |
| BRN | 131642 |
| InChI | 1S/C8H7NOS/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10) |
| InChIKey | GTFMIJNXNMDHAB-UHFFFAOYSA-N |
| SMILES | O=C1CSc2ccccc2N1 |
| CAS DataBase Reference | 5325-20-2(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Safety Statements | 24/25 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 2934999090 |
| Storage Class | 11 - Combustible Solids |