3-(1-Piperazinyl)-1,2-benzisothiazole
Synonym(s):3-Piperazin-1-yl-benzo[d]isothiazole
- CAS NO.：87691-87-0
- Empirical Formula: C11H13N3S
- Molecular Weight: 219.31
- MDL number: MFCD04117970
- EINECS: 618-048-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-16 15:11:44
What is 3-(1-Piperazinyl)-1,2-benzisothiazole?
Chemical properties
3-(1-Piperazinyl)-1,2-benzisothiazole is Yellow Solid
The Uses of 3-(1-Piperazinyl)-1,2-benzisothiazole
3-(1-Piperazinyl)-1,2-benzisothiazole is a reagent used to synthesize Ziprasidione
Definition
ChEBI: ID11614 is a N-arylpiperazine.
Properties of 3-(1-Piperazinyl)-1,2-benzisothiazole
| 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 |
| CAS DataBase Reference | 87691-87-0(CAS DataBase Reference) |
Safety information for 3-(1-Piperazinyl)-1,2-benzisothiazole
| Signal word | Danger |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-(1-Piperazinyl)-1,2-benzisothiazole
| InChIKey | KRDOFMHJLWKXIU-UHFFFAOYSA-N |
| SMILES | S1C2=C(C=CC=C2)C(N2CCNCC2)=N1 |
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