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	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

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

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

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

HS Code	2922499990

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%

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