[4-(bis(2-bromoethyl)amino)phenyl] 4-chlorobenzoate

Modify Date: 2024-03-09 15:52:23

[4-(bis(2-bromoethyl)amino)phenyl] 4-chlorobenzoate Structure
[4-(bis(2-bromoethyl)amino)phenyl] 4-chlorobenzoate structure
Common Name [4-(bis(2-bromoethyl)amino)phenyl] 4-chlorobenzoate
CAS Number 22954-18-3 Molecular Weight 461.57500
Density 1.635g/cm3 Boiling Point 532.4ºC at 760mmHg
Molecular Formula C17H16Br2ClNO2 Melting Point N/A
MSDS N/A Flash Point 275.8ºC

 Names

Name [4-(bis(2-bromoethyl)amino)phenyl] 4-chlorobenzoate

 Chemical & Physical Properties

Density 1.635g/cm3
Boiling Point 532.4ºC at 760mmHg
Molecular Formula C17H16Br2ClNO2
Molecular Weight 461.57500
Flash Point 275.8ºC
Exact Mass 458.92400
PSA 29.54000
LogP 5.15540
Vapour Pressure 2.04E-11mmHg at 25°C
Index of Refraction 1.641

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SJ7720000
CHEMICAL NAME :
Phenol, p-(bis(2-bromoethyl)amino)-, p-chlorobenzoate
CAS REGISTRY NUMBER :
22954-18-3
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C17-H16-Br2-Cl-N-O2
MOLECULAR WEIGHT :
461.61
WISWESSER LINE NOTATION :
GR DVOR DN2E2E

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 :
3 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
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: 12,491,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
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: 12,491,1969

 Safety Information

HS Code 2922199090

 Customs

HS Code 2922199090
Summary 2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%