9-fluoro-5H-benzo[b][1,4]benzoxazepin-6-one

Modify Date: 2024-09-28 20:47:09

9-fluoro-5H-benzo[b][1,4]benzoxazepin-6-one Structure
9-fluoro-5H-benzo[b][1,4]benzoxazepin-6-one structure
Common Name 9-fluoro-5H-benzo[b][1,4]benzoxazepin-6-one
CAS Number 109790-32-1 Molecular Weight 229.20700
Density 1.335g/cm3 Boiling Point 286.2ºC at 760mmHg
Molecular Formula C13H8FNO2 Melting Point N/A
MSDS N/A Flash Point 126.9ºC

 Names

Name 9-fluoro-5H-benzo[b][1,4]benzoxazepin-6-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.335g/cm3
Boiling Point 286.2ºC at 760mmHg
Molecular Formula C13H8FNO2
Molecular Weight 229.20700
Flash Point 126.9ºC
Exact Mass 229.05400
PSA 41.82000
LogP 3.00330
Vapour Pressure 0.00268mmHg at 25°C
Index of Refraction 1.602

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HQ4050000
CHEMICAL NAME :
Dibenz(b,f)(1,4)oxazepin-11(10H)-one, 3-fluoro-
CAS REGISTRY NUMBER :
109790-32-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H8-F-N-O2
MOLECULAR WEIGHT :
229.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 22,161,1987

 Synthetic Route

~%

9-fluoro-5H-benzo[b][1,4]benzoxazepin-6-one Structure

9-fluoro-5H-ben...

CAS#:109790-32-1

Literature: Chakrabarti; Hicks European Journal of Medicinal Chemistry, 1987 , vol. 22, # 2 p. 161 - 163

 Synonyms

3-fluoro-10H-dibenzo[b,f][1,4]oxazepin-11-one
Dibenz(b,f)(1,4)oxazepin-11(10H)-one,3-fluoro
2-Fluor-dibenzoxazepin
3-Fluorodibenz(b,f)(1,4)oxazepin-11(10H)-one