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HomeProduct name list10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine

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: 2025-07-07 08:31:03
10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine Structural

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)
ghs
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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