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| CAS No.: | 63915-54-8 |
|---|---|
| Name: | 2-[(2-chloroethyl)sulfanyl]-N-{2-[(2-chloroethyl)sulfanyl]ethyl}-N-methylethanaminium chloride |
| Molecular Structure: | |
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| Formula: | C9H19 Cl2 N S2 . Cl H |
| Molecular Weight: | 312.77 |
| Synonyms: | Ethanamine,2-[(2-chloroethyl)thio]-N-[2-[(2-chloroethyl)thio]ethyl]-N-methyl-,hydrochloride (9CI) |
| Density: | g/cm3 |
| Boiling Point: | 376.5°Cat760mmHg |
| Flash Point: | 181.5°C |
| Safety: | Poison by inhalation, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx. |
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Chemistry
The Molecular Structure of Methyl-bis(2-chloroethyl-mercaptoethyl)amine hydrochloride (CAS NO.63915-54-8):
Molecular Formula: C9H20Cl3NS2
Molecular Weight: 312.750800 g/mol
IUPAC: bis[2-(2-chloroethylsulfanyl)ethyl]-methylazanium chloride
Flash Point: 181.5 °C
Enthalpy of Vaporization: 62.41 kJ/mol
Boiling Point: 376.5 °C at 760 mmHg
Vapour Pressure: 7.22E-06 mmHg at 25°C
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 0.44
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 16.85
ACD/KOC (pH 5.5): 3.19
ACD/KOC (pH 7.4): 162.59
Polar Surface Area: 50.6Å2
Toxicity Data With Reference
| 1. | ihl-mus LCLo:220 mg/m3/10M | NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report No. 9-4-1-19 ,1944. | ||
| 2. | ipr-mus LD50:8 mg/kg | CANCAR Cancer. 2 (1949),1055. | ||
| 3. | scu-mus LDLo:25 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. PB158-507 . |
Safety Profile
Poison by inhalation, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx.
Specification
Methyl-bis(2-chloroethyl-mercaptoethyl)amine hydrochloride (CAS NO.63915-54-8) can also be called as Diethylamine, 2,2'-bis(2-chloroethylmercapto)-N-methyl-, hydrochloride ; Methyl-bis(2-chloroethyl-mercaptoethyl)amine hydrochloride ; Methylbis(beta-chloroethylthioethyl)amine hydrochloride ; TL 1002 ; Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride .