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

CAS No. 3159-07-7

Formula: C13H9NOS
Basic Info

An intermediate in the synthesis of quetiapine.

Formula
C13H9NOS
Molecular Weight
227.282
Exact Mass
227.04
LogP
3.5415
PSA
54.4
Synonyms

Dibenzo[b,f][1,4]thiazepin-11(10H)-one

4]thiazepine

10,11-Dihydro-11-oxo dibenzo-1,4-thiazepine

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Properties
Appearance & Physical State
Off-White Powder
Density
1.292 g/cm3
Boiling Point
309.2ºC at 760 mmHg
Melting Point
265ºC
Flash Point
140.8ºC
Refractive Index
1.666
Storage Condition
Refrigerator
Safety Info
Safety Statements
S26; S36/37/39
Risk Statements
R36/37/38
HS Code
2934999090
Spectrum
NMR Spectrum 1H NMR : Predict
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IR Spectrum IR : KBr disc
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Mass Spectrum Mass
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Synthesis Route
1.Synthesis Route
2.Synthesis Route
3.Synthesis Route
Home > Encyclopedi > Biochemicals and Pharmaceutical Chemicals > Pharmaceutical Impurities > 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine

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