3-(1-Piperazinyl)-1,2-benzisothiazole
- Product Name3-(1-Piperazinyl)-1,2-benzisothiazole
- CAS87691-87-0
- MFC11H13N3S
- MW219.31
- EINECS618-048-1
- MOL File87691-87-0.mol
Chemical Properties
| Melting point | 89.0 to 93.0 °C |
| Boiling point | 320.2±35.0 °C(Predicted) |
| Density | 1.256 |
| storage temp. | 2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 8.52±0.10(Predicted) |
| color | White to Light yellow |
| BRN | 4253627 |
| InChI | InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2 |
| InChIKey | KRDOFMHJLWKXIU-UHFFFAOYSA-N |
| SMILES | S1C2=C(C=CC=C2)C(N2CCNCC2)=N1 |
| LogP | 2.14 |
| CAS DataBase Reference | 87691-87-0(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,T |
| Risk Statements | 25-36/38 |
| Safety Statements | 26-45 |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29349990 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 |
