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

Modify Date: 2025-11-10 17:09:36

4-(Bis(2-chloroethyl)amino)butyric acid 2,4,6-trinitrobenzenesulfonate Structure
4-(Bis(2-chloroethyl)amino)butyric acid 2,4,6-trinitrobenzenesulfonate structure
 Common Name 4-(Bis(2-chloroethyl)amino)butyric acid 2,4,6-trinitrobenzenesulfonate
CAS Number 100700-27-4 Molecular Weight 521.28400
Density N/A Boiling Point 666.9ºC at 760mmHg
Molecular Formula C14H18Cl2N4O11S Melting Point N/A
MSDS N/A Flash Point 357.1ºC

 Names

Name 3-carboxypropyl-bis(2-chloroethyl)azanium,2,4,6-trinitrobenzenesulfonate
Synonym More Synonyms

 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

 Synonyms

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
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Chemsrc provides CAS#:100700-27-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-(Bis(2-chloroethyl)amino)butyric acid 2,4,6-trinitrobenzenesulfonate>> amp version: 4-(Bis(2-chloroethyl)amino)butyric acid 2,4,6-trinitrobenzenesulfonate

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