ChemicalBook--->CAS DataBase List--->3158-91-6

3158-91-6

3158-91-6 Structure

3158-91-6 Structure
IdentificationMore
[Name]

2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one
[CAS]

3158-91-6
[Synonyms]

2-CHLORO-10,11-DIHYDRO-11-OXO-DIBENZO[B,F][1,4]OXAZEPINE
2-CHLORO-DIBENZ(B,F)(1,4)OXAZEPIN-11(10H)ONE
2-Chlorodibenzoxapine
2-Chloro-10,11-Dihydro-11-Oxo-Dibenz[b,f][1,4]oxazepine
2-CHLORO-10,11-DIHYDRO-11-OXO-DIBEN(B,F)(1,4)OXAZEPINE
2-Chloro-10,11-Dihydro-11-Oxo-Diben(B,F)(1,4)Oxazepine(ForAmoxapine)
2-chloro-10,11-dihydro-11-oxo-dibenz[b,f][1,4]oxazepine (intermediate of amoxapine)
[EINECS(EC#)]

221-602-1
[Molecular Formula]

C13H8ClNO2
[MDL Number]

MFCD06658244
[Molecular Weight]

245.66
[MOL File]

3158-91-6.mol
Chemical PropertiesBack Directory
[Appearance]

Tan Solid
[Melting point ]

242-244°C
[Boiling point ]

320.8±41.0 °C(Predicted)
[density ]

1.369±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO (Sparingly, Heated), Methanol Slightly)
[form ]

Solid
[pka]

12.23±0.20(Predicted)
[color ]

Pale Beige
[Usage]

Amoxapine intermediate
[Major Application]

pharmaceutical small molecule
[InChI]

1S/C13H8ClNO2/c14-8-5-6-12-10(7-8)15-13(16)9-3-1-2-4-11(9)17-12/h1-7H,(H,15,16)
[InChIKey]

CQTGCCLTIDNYHT-UHFFFAOYSA-N
[SMILES]

Clc1cc2c(cc1)Oc3c(cccc3)C(=O)N2
[CAS DataBase Reference]

3158-91-6(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[REACH Registrations]

Active
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Tan Solid
[Uses]

Amoxapine intermediate
[Uses]

Amoxapine intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one(3158-91-6)1HNMR
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