10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine
Synonym(s):Dibenzo[b,f][1,4]thiazepin-11(10H)-one;NSC 653252
- CAS NO.：3159-07-7
- Empirical Formula: C13H9NOS
- Molecular Weight: 227.28
- MDL number: MFCD00901197
- EINECS: 608-646-0;438-020-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-08 20:25:11
![10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine Structural](https://img.chemicalbook.in/CAS/GIF/3159-07-7.gif)
What is 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine?
Chemical properties
Off-White Powder
The Uses of 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine
Dibenzo[b,f][1,4]thiazepine-11-[10H]one (Quetiapine EP Impurity G; Quetiapine Impurity G; Quetiapine USP-G) is an intermediate in the synthesis of quetiapine (Q510000).
What are the applications of Application
Dibenzo[b,f][1,4]thiazepine-11-[10H]one is an intermediate in the synthesis of quetiapine
Properties of 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine
| Melting point: | 265 °C |
| Boiling point: | 309.2±12.0 °C(Predicted) |
| Density | 1.292±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,2-8°C |
| solubility | DMSO (Slightly, Heated) |
| form | Solid |
| pka | 12.40±0.20(Predicted) |
| color | White to Off-White |
| InChI | InChI=1S/C13H9NOS/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15) |
| CAS DataBase Reference | 3159-07-7(CAS DataBase Reference) |
Safety information for 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine
| InChIKey | RTERDTBXBYNZIS-UHFFFAOYSA-N |
| SMILES | S1C2=CC=CC=C2C(=O)NC2=CC=CC=C12 |
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