10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine

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Names

[ CAS No. ]:
3159-07-7

[ Name ]:
10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine

[Synonym ]:
Dibenzo[b,f][1,4]thiazepin-11(10H)-one
Dibenzo[b,f][1,4]thiazepinone
4]thiazepine
10,11-Dihydro-11-oxo dibenzo-1,4-thiazepine
MFCD00901197
Quetiapine Impurity 29

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
309.2±12.0 °C at 760 mmHg

[ Melting Point ]:
265ºC

[ Molecular Formula ]:
C13H9NOS

[ Molecular Weight ]:
227.282

[ Flash Point ]:
140.8±19.6 °C

[ Exact Mass ]:
227.040482

[ PSA ]:
54.40000

[ LogP ]:
2.97

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.667

[ Storage condition ]:
Refrigerator

MSDS

Click to get detail MSDS

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
26-36/37/39

[ RIDADR ]:
NONH for all modes of transport

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-[(2-Aminophenyl)sulfanyl]benzoic acid
  • 1-ISOCYANATO-2-PHENYLSULFANYL-BENZENE
  • Phenyl[2-phenylthio)phenyl]carbamate
  • Sulfuric acid
  • 2-((2-Aminophenyl)thio)benzonitrile
  • methyl 2-(2-aminophenylthio)[14C]benzoate
  • 2-Iodobenzoic acid
  • 2-Aminothiophenol
  • Methyl 2-iodobenzoate
  • 2-(2-trifluoroacetylaminophenylthio)benzoic acid

DownStream

  • 11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine
  • Isopropanol
  • 4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol
  • Quetiapine
  • 11-Chloro-dibenzo[b,f][1,4]thiazepine
  • 5H-benzo[b][1,4]benzothiazepine-6-thione
  • 11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine hydrochloride (1:1)

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 2-methyl-10H-dibenzo[b,f][1,4]thiazepin-11-one
  • 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one
  • 3-chloro-10H-dibenzo[b,f][1,4]oxazepin-11-one
  • Dibenzo[b,f][1,4]thiazepin-11(10H)-one,2-chloro)
  • 10,11-dihydro-2-nitrodibenz<1,4>oxazepine
  • 10,11-Dihydro-dibenzo[b,f][1,4]oxazepine