87691-87-0
| Name | 3-(1-Piperazinyl)-1,2-benzisothiazole |
| CAS | 87691-87-0 |
| EINECS(EC#) | 618-048-1 |
| Molecular Formula | C11H13N3S |
| MDL Number | MFCD04117970 |
| Molecular Weight | 219.31 |
| MOL File | 87691-87-0.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 Data
| Symbol(GHS) |  GHS06 |
| Signal word | Danger |
| Hazard statements | H301-H315-H319 |
| Precautionary statements | P301+P310+P330-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| REACH Registrations | Active |
| 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 |