3-(1-Piperazinyl)-1,2-benzisothiazole
- Product Name3-(1-Piperazinyl)-1,2-benzisothiazole
- CAS87691-87-0
- CBNumberCB3783377
- MFC11H13N3S
- MW219.31
- EINECS618-048-1
- MDL NumberMFCD04117970
- MOL File87691-87-0.mol
- MSDS FileSDS
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) |
| FDA UNII | 59D8RAT1F9 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Danger | |||||||||
| Hazard statements | H301-H315-H319 | |||||||||
| Precautionary statements | P301+P310+P330-P302+P352-P305+P351+P338 | |||||||||
| 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 | |||||||||
| NFPA 704: |
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