4-[bis(2-chloroethyl)amino]benzamide

Modify Date: 2024-01-26 15:08:46

4-[bis(2-chloroethyl)amino]benzamide Structure
4-[bis(2-chloroethyl)amino]benzamide structure
Common Name 4-[bis(2-chloroethyl)amino]benzamide
CAS Number 2045-42-3 Molecular Weight 261.14800
Density 1.293g/cm3 Boiling Point 434.7ºC at 760 mmHg
Molecular Formula C11H14Cl2N2O Melting Point N/A
MSDS N/A Flash Point 216.7ºC

 Names

Name 4-[bis(2-chloroethyl)amino]benzamide

 Chemical & Physical Properties

Density 1.293g/cm3
Boiling Point 434.7ºC at 760 mmHg
Molecular Formula C11H14Cl2N2O
Molecular Weight 261.14800
Flash Point 216.7ºC
Exact Mass 260.04800
PSA 46.33000
LogP 2.76980
Vapour Pressure 9.3E-08mmHg at 25°C
Index of Refraction 1.593

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CV2355000
CHEMICAL NAME :
Benzamide, 4-(bis(2-chloroethyl)amino)-
CAS REGISTRY NUMBER :
2045-42-3
BEILSTEIN REFERENCE NO. :
2810538
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H14-Cl2-N2-O
MOLECULAR WEIGHT :
261.17
WISWESSER LINE NOTATION :
ZVR DN2G2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
313 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: 8,167,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
279 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: 8,167,1965

 Synthetic Route

~%

4-[bis(2-chloroethyl)amino]benzamide Structure

4-[bis(2-chloro...

CAS#:2045-42-3

Literature: Purenas; Degutis Kauno politech. Inst. DarbaiChem.Abstr., 1957 , vol. 6, p. 185 Kauno politech. Inst. DarbaiChem.Abstr., 1960 , p. 5550

 Precursor & DownStream

Precursor  1

DownStream  0