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

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Names

[ 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

3-[(1,3-Benzoxazol-2-yl)amino]-1-(furan-3-yl)propan-1-ol
(2S)-2-Methyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine
Tert-butyl 2-amino-5-fluoro-4-methoxybenzoate
2,6-Dimethoxy-3-(oxiran-2-yl)pyridine
(2R)-2-(2,3-Dihydro-1-benzofuran-3-yl)propanoic acid
4-Bromo-5-tert-butyl-1,3-oxazole
(2S)-2-(6-Fluoro-4H-1,3-benzodioxin-8-yl)propan-1-ol
(2S)-2-Methyl-4-(oxan-4-yl)butan-1-amine
2-Cyclopropylethane-1-sulfinyl chloride
(2S)-2-Methyl-3-(5-methylpyridin-3-yl)propan-1-amine

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