Benzoic acid,4-[bis(2-chloroethyl)amino]-

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Names

[ CAS No. ]:
1141-37-3

[ Name ]:
Benzoic acid,4-[bis(2-chloroethyl)amino]-

[Synonym ]:
Benzoic acid nitrogen mustard

Chemical & Physical Properties

[ Density]:
1.339g/cm3

[ Boiling Point ]:
426.6ºC at 760mmHg

[ Molecular Formula ]:
C11H13Cl2NO2

[ Molecular Weight ]:
262.13200

[ Flash Point ]:
211.8ºC

[ Exact Mass ]:
261.03200

[ PSA ]:
40.54000

[ LogP ]:
2.66880

[ Vapour Pressure ]:
4.9E-08mmHg at 25°C

[ Index of Refraction ]:
1.594

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG4418000
CHEMICAL NAME :
Benzoic acid, p-(bis(2-chloroethyl)amino)-
CAS REGISTRY NUMBER :
1141-37-3
BEILSTEIN REFERENCE NO. :
0988858
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C11-H13-Cl2-N-O2
MOLECULAR WEIGHT :
262.15
WISWESSER LINE NOTATION :
QVR 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 :
240 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
63 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
1200 nmol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 346,129,1995

Safety Information

[ HS Code ]:
2922499990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzaldehyde,4-[bis(2-chloroethyl)amino]-
  • Benzoic acid,4-[bis(2-hydroxyethyl)amino]-, ethyl ester
  • 2,2'-(Phenylimino)diethanol
  • 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid
  • tert-Butyl 4-aminobenzoate
  • ethyl 4-[bis(2-chloroethyl)amino]benzoate
  • Benzocaine
  • N,N-bis-(2-Chloroethyl)aniline

DownStream

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%

Related Compounds

  • Benzoic acid,4-[bis(2-chloroethyl)amino]-3-nitro-,methyl ester
  • Benzoic acid,4-[bis(2-chloroethyl)amino]-, 2-cyclopentylidenehydrazide
  • Benzoic acid,4-[bis(2-chloroethyl)amino]-, 2-[(4-fluorophenyl)methylene]hydrazide
  • Benzoic acid, 4-[[bis (2-chloroethyl)amino]methyl]-, hydrochloride
  • Benzoic acid, 4-[[bis(2-chloroethyl)amino]sulfonyl]
  • 4-[bis(2-chloroethyl)amino]-2-hydroxy-benzoic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine