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