3,4-Dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one

Modify Date: 2024-04-07 10:20:59

3,4-Dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one Structure
3,4-Dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one structure
Common Name 3,4-Dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one
CAS Number 28889-33-0 Molecular Weight 186.21000
Density 1.36g/cm3 Boiling Point 492.6ºC at 760mmHg
Molecular Formula C11H10N2O Melting Point N/A
MSDS N/A Flash Point 251.7ºC

 Names

Name 3,4-Dihydro[1,4]diazepino[6,7,1-hi]indol-1(2H)-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.36g/cm3
Boiling Point 492.6ºC at 760mmHg
Molecular Formula C11H10N2O
Molecular Weight 186.21000
Flash Point 251.7ºC
Exact Mass 186.07900
PSA 37.52000
LogP 1.39510
Vapour Pressure 7.6E-10mmHg at 25°C
Index of Refraction 1.709

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY8505000
CHEMICAL NAME :
Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4-dihydro-
CAS REGISTRY NUMBER :
28889-33-0
BEILSTEIN REFERENCE NO. :
0643845
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H10-N2-O
MOLECULAR WEIGHT :
186.23
WISWESSER LINE NOTATION :
T567 1A M BN JVM&&TJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
422 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,827,1970

 Safety Information

HS Code 2933990090

 Synthetic Route

~%

3,4-Dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one Structure

3,4-Dihydropyrr...

CAS#:28889-33-0

Literature: Agouron Pharmaceuticals, Inc. Patent: US6548494 B1, 2003 ;

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

3,4-Dihydro-2H,6H-<1,3>oxazino<2,3-b>quinazolin-6-one
2,3-dihydro-2H,6H-<1,3>oxazino<2,3-b>quinazolin-6-one