3-(1-Piperazinyl)-1,2-benzisothiazole
3-(1-Piperazinyl)-1,2-benzisothiazole
CAS: 87691-87-0
Molecular Formula: C11H13N3S
3-(1-Piperazinyl)-1,2-benzisothiazole - Names and Identifiers
| Name | 3-(1-Piperazinyl)-1,2-benzisothiazole |
| Synonyms | lurasidone-1 ASINEX-REAG BAS 13031053 3-piperazin-1-yl-1,2-benzisothiazole 3-(1-piperazizyl)-1,2-benzisothiazole 3-(1-PIPERAZINYL)-1,2-BENZISOTHIAZOLE 1,2-BENZISOTHIAZOLE-3-(1-PIPERAZINYL) 3-(1-Piperazinyl)-1,2-benzisothiazole 1-(1,2-BENZISOTHIAZOL-3-YL)PIPERAZINE 3-Piperazinyl-1,2-benzisothiazole (PRB) 1-(1,2-BENZISOTHIAZOL-3-YL)-PIPERAZINE (BASE) |
| CAS | 87691-87-0 |
| EINECS | 618-048-1 |
| InChI | InChI=1/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 |
3-(1-Piperazinyl)-1,2-benzisothiazole - Physico-chemical Properties
| Molecular Formula | C11H13N3S |
| Molar Mass | 219.31 |
| Density | 1.256 |
| Melting Point | 89.0 to 93.0 °C |
| Boling Point | 320.2±35.0 °C(Predicted) |
| Flash Point | 147.4°C |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.000323mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Light yellow |
| BRN | 4253627 |
| pKa | 8.52±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.655 |
| MDL | MFCD04117970 |
3-(1-Piperazinyl)-1,2-benzisothiazole - Risk and Safety
| Risk Codes | R25 - Toxic if swallowed R36/38 - Irritating to eyes and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| HS Code | 29349990 |
| Hazard Class | IRRITANT |
3-(1-Piperazinyl)-1,2-benzisothiazole - Reference Information
| LogP | 2.14 |
| Use | 4-(1, 2-benzisothiazol-3-yl)-1-piperazine is a reagent for the synthesis of ziprasidone (Z485000,HCl salt, Monohydrate), serotonin (5HT2) and dopamine (D2) receptor antagonists. lurasidone intermediate |
Last Update：2024-04-09 21:21:28
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