Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4-(Bis(2-chloroethyl)amino)butyric acid 2,4,6-trinitrobenzenesulfonate
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

100700-27-4

100700-27-4 structure

100700-27-4 structure

Name: 4-(Bis(2-chloroethyl)amino)butyric acid 2,4,6-trinitrobenzenesulfonate
Chemical Name: 3-carboxypropyl-bis(2-chloroethyl)azanium,2,4,6-trinitrobenzenesulfonate
CAS Number: 100700-27-4
Molecular Formula: C₁₄H₁₈Cl₂N₄O₁₁S
Molecular Weight: 521.28400
Create Date: 2018-06-10 16:47:42
Modify Date: 2024-01-06 16:05:20

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

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

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