Benzoicacid, 3-[bis(2-chloroethyl)amino]-4-methyl-, methyl ester

Modify Date: 2024-04-03 17:50:29

Benzoicacid, 3-[bis(2-chloroethyl)amino]-4-methyl-, methyl ester Structure
Benzoicacid, 3-[bis(2-chloroethyl)amino]-4-methyl-, methyl ester structure
Common Name Benzoicacid, 3-[bis(2-chloroethyl)amino]-4-methyl-, methyl ester
CAS Number 18583-88-5 Molecular Weight 290.18600
Density 1.222g/cm3 Boiling Point 401.9ºC at 760 mmHg
Molecular Formula C13H17Cl2NO2 Melting Point N/A
MSDS N/A Flash Point 196.9ºC

 Names

Name Benzoic acid, 3-[bis(2-chloroethyl)amino]-4-methyl-, methyl ester
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.222g/cm3
Boiling Point 401.9ºC at 760 mmHg
Molecular Formula C13H17Cl2NO2
Molecular Weight 290.18600
Flash Point 196.9ºC
Exact Mass 289.06400
PSA 29.54000
LogP 3.06560
Vapour Pressure 1.14E-06mmHg at 25°C
Index of Refraction 1.554

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XU1630000
CHEMICAL NAME :
p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, methyl ester
CAS REGISTRY NUMBER :
18583-88-5
LAST UPDATED :
199707
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C13-H17-Cl2-N-O2
MOLECULAR WEIGHT :
290.21
WISWESSER LINE NOTATION :
G2N2GR B1 EVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
NEOLA4 Neoplasma. (Karger-Libri, P.O. Box, CH-4009 Basel, Switzerland) V.4- 1957- Volume(issue)/page/year: 27,271,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 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: 12,161,1969

 Safety Information

HS Code 2922499990

 Customs

HS Code 2922499990
Summary HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

 Synonyms

3-(N,N-Bis-<2-chlor-ethyl>-amino)-4-methyl-benzoesaeure-methylester
3-[Bis(2-chloroethyl)amino]-p-toluic acid methyl ester
3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid methyl ester
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