3158-91-6

Name 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one
CAS 3158-91-6
EINECS(EC#) 221-602-1
Molecular Formula C13H8ClNO2
MDL Number MFCD06658244
Molecular Weight 245.66
MOL File 3158-91-6.mol
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Chemical Properties

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 Data

WGK Germany  WGK 3
REACH Registrations Active
Storage Class 11 - Combustible Solids
Hazard Classifications STOT SE 3

Hazard Information

Spectrum Detail

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