4-(Bis(2-chloroethyl)amino)butyric acid 2,4,6-trinitrobenzenesulfonate

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Names

[ CAS No. ]:
100700-27-4

[ Name ]:
4-(Bis(2-chloroethyl)amino)butyric acid 2,4,6-trinitrobenzenesulfonate

[Synonym ]:
BUTYRIC ACID,4-(BIS(2-CHLOROETHYL)AMINO)-,2,4,6-TRINITROBENZENESULFONATE
4-(Bis(2-chloroethyl)amino)butyric acid picrylsulfonate
4-(Bis(2-chloroethyl)amino)butyric acid 2,4,6-trinitrobenzenesulfonate

Chemical & Physical Properties

[ Boiling Point ]:
666.9ºC at 760mmHg

[ Molecular Formula ]:
C14H18Cl2N4O11S

[ Molecular Weight ]:
521.28400

[ Flash Point ]:
357.1ºC

[ Exact Mass ]:
520.00700

[ PSA ]:
240.75000

[ LogP ]:
4.93910

[ Vapour Pressure ]:
1.08E-18mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES7540000
CHEMICAL NAME :
Butyric acid, 4-(bis(2-chloroethyl)amino)-, 2,4,6-trinitrobenzenesulfonate
CAS REGISTRY NUMBER :
100700-27-4
LAST UPDATED :
198606
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H15-Cl2-N-O2.C6-H3-N3-O9
MOLECULAR WEIGHT :
489.26
WISWESSER LINE NOTATION :
WSQR BNW DNW FNW &QV3N2G2G

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 :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 8,732,1960

Related Compounds

  • 2-(6-ethyl-7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetic acid
  • 1-(Thiophen-2-ylcarbamoyl)piperidine-3-carboxylic acid
  • 1-(1,1-dioxidotetrahydro-3-thienyl)-5-(2-furyl)-1H-pyrazole-3-carboxylic acid
  • 2-(benzo[d][1,3]dioxole-5-carboxamido)-5,6-dihydro-4H-cyclopenta[d]thiazole-4-carboxylic acid
  • 6-chloro-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-imine
  • 6-bromo-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-imine
  • 3-methyl-6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2(3H)-imine
  • 6-ethyl-3-methylbenzo[d]thiazol-2(3H)-imine
  • 3-(2-methoxyethyl)-5,6-dimethylbenzo[d]thiazol-2(3H)-imine
  • N-(4-(2-(2-methylindolin-1-yl)-2-oxoethyl)thiazol-2-yl)pyrimidine-2-carboxamide
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