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

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

Chemical Properties

Melting point 68-70C
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)
FDA UNII 0H0YJ25O3W
NIST Chemistry Reference Dibenz[b,e]oxepin-11(6H)-one(4504-87-4)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Skull and Crossbones (GHS06)
Signal wordDanger
Hazard statements H301
Precautionary statements P264-P270-P301+P310-P405-P501
WGK Germany  WGK 3
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

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