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ChemicalBook--->CAS DataBase List--->3159-07-7

3159-07-7

3159-07-7 Structure

3159-07-7 Structure
IdentificationMore
[Name]

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

3159-07-7
[Synonyms]

10,11-DIHYDRO-11-OXODIBENZO[B,F][1,4]THIAZEPINE
10H-DIBENZO-(1,4)-THIAZEPINE-11-ONE
11-Oxo-10,11-dihydro-Dibenzo[b,f][1,4]thiazepine
DIBENZO[B,F][1,4]THIAZEPINE-11-[10H]ONE
DIBENZO[B,F][1,4]THIAZEPINE, 11-OXO-10,11-DIHYDRO-
DIBENZO[B,F][1,4]THIAZEPINE-11-[10H]ONE (DBTO)
10,11-Dihydro-11-oxo dibenzo-1,4-thiazepine
10H-DIBENZO[B,F][1,4]THIAZEPIN-11-ONE
DibenzoB,F1,4Thiazepine-11-(10H)One-Dptp
Dibenzo[b,f][1,4]thiazepin-11[
10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepin
DIBENZO[B,F][1,4]THIAZEPINE, 11-OXO-10,11-DIHYDRO-(INTERMEDIATES OF QUETIAPINE)
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C13H9NOS
[MDL Number]

MFCD00901197
[Molecular Weight]

227.28
[MOL File]

3159-07-7.mol
Chemical PropertiesBack Directory
[Appearance]

Off-White Powder
[Melting point ]

265 °C
[Boiling point ]

309.2±12.0 °C(Predicted)
[density ]

1.292±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[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)
[InChIKey]

RTERDTBXBYNZIS-UHFFFAOYSA-N
[SMILES]

S1C2=CC=CC=C2C(=O)NC2=CC=CC=C12
[CAS DataBase Reference]

3159-07-7(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[HS Code ]

2934990002
Hazard InformationBack Directory
[Chemical Properties]

Off-White Powder
[Uses]

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).
Spectrum DetailBack Directory
[Spectrum Detail]

10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine(3159-07-7)MS
10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine(3159-07-7)IR1
10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine(3159-07-7)IR2
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

Dibenzo[b,f][1,4]thiazepin-11(10H)-one,>98.0%(LC)(N)(3159-07-7)
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