1H-Imidazolium,3-(2-bromoethyl)-1-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-4-nitro-,chloride (1:1)

Modify Date: 2024-02-28 15:32:27

1H-Imidazolium,3-(2-bromoethyl)-1-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-4-nitro-,chloride (1:1) Structure
1H-Imidazolium,3-(2-bromoethyl)-1-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-4-nitro-,chloride (1:1) structure
Common Name 1H-Imidazolium,3-(2-bromoethyl)-1-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-4-nitro-,chloride (1:1)
CAS Number 52995-64-9 Molecular Weight 539.20900
Density N/A Boiling Point N/A
Molecular Formula C21H18BrCl2N5O3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-[3-(2-bromoethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one,chloride

 Chemical & Physical Properties

Molecular Formula C21H18BrCl2N5O3
Molecular Weight 539.20900
Exact Mass 536.99700
PSA 96.09000
LogP 1.12960

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NJ5032000
CHEMICAL NAME :
1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phen yl-1H-1,4-benzodiazep in- 3-yl)-2-methyl-5-nitro-, chloride
CAS REGISTRY NUMBER :
52995-64-9
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H18-Br-Cl-N5-O3.Cl
MOLECULAR WEIGHT :
539.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
2900 ug/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: 17,766,1974