ChemicalBook--->CAS DataBase List--->4504-87-4

4504-87-4

4504-87-4 Structure

4504-87-4 Structure
IdentificationMore
[Name]

Dibenz[b,e]oxepin-11(6H)-one
[CAS]

4504-87-4
[Synonyms]

11-DIHYDRODIBENZ[B,E]OXEPIN-11-ONE
11-OXO-6,11-DIHYDRODIBENZO[B,E]OXEPIN
6,11-DIHYDRODIBENZO[B,E]OXEPIN-11-ONE
6H-DIBENZO[B,E]OXEPIN-11-ONE
DIBENZ[B,E]OXEPIN-11(6H)-ONE
DIBENZO[B,E]OXEPIN-11(6H)-ONE
DOXEPINONE
6,11-Dihydrobenz[b,e]oxepin-11-one
6,11-Dihydrodibenz[b,e]oxepin-11-one
11-Oxo-6,11-dihydrodibenzo oxepin
68~72℃
6H-Dibenzo oxepin 11 one
[EINECS(EC#)]

224-820-5
[Molecular Formula]

C14H10O2
[MDL Number]

MFCD00963963
[Molecular Weight]

210.23
[MOL File]

4504-87-4.mol
Chemical PropertiesBack Directory
[Melting point ]

68-70?C
[Boiling point ]

386.8±32.0 °C(Predicted)
[density ]

1.226±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly) , Methanol (Slightly)
[form ]

Solid
[color ]

Off-White to Light Yellow
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/C14H10O2/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2
[InChIKey]

YUSHFLBKQQILNV-UHFFFAOYSA-N
[SMILES]

O1CC2=CC=CC=C2C(=O)C2=CC=CC=C12
[CAS DataBase Reference]

4504-87-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Dibenz[b,e]oxepin-11(6H)-one(4504-87-4)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P264-P270-P301+P310-P405-P501
[WGK Germany ]

WGK 3
[REACH Registrations]

Active
[HS Code ]

2932996560
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Uses]

Doxepin intermediate. A photodecomposition product of Doxepin.
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