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3590-07-6

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Basic Information
CAS No.: 3590-07-6
Name: Triethylamine, 2,2'-dichloro-, hydrochloride
Article Data: 4
Molecular Structure:
Molecular Structure of 3590-07-6 (Triethylamine, 2,2'-dichloro-, hydrochloride)
Formula: C6H13Cl2N•ClH
Molecular Weight: 206.543
Synonyms: 2-chloro-N-(2-chloroethyl)-N-ethylethanamine,hydrochloride;
Density: g/cm3
Boiling Point: 135.7°Cat760mmHg
Flash Point: 35.9°C
Safety: Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also AMINES.
PSA: 3.24000
LogP: 2.58790
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Chemistry

IUPAC Name: 2-chloro-N-(2-chloroethyl)-N-ethylethanamine hydrochloride 
Empirical Formula: C6H14Cl3N
Molecular Weight: 206.5411g/mol
Flash Point: 35.9 °C
Enthalpy of Vaporization: 37.31 kJ/mol
Boiling Point: 135.7 °C at 760 mmHg
Vapour Pressure: 7.63 mmHg at 25°C
Canonical SMILES: CCN(CCCl)CCCl.Cl
InChI: InChI=1S/C6H13Cl2N.ClH/c1-2-9(5-3-7)6-4-8;/h2-6H2,1H3;1H
InChIKey: NATUMHLLJZPGJW-UHFFFAOYSA-N
Structure of Ethylbis(beta-chloroethyl)amine hydrochloride (CAS NO.3590-07-6):

Toxicity Data With Reference

1.    

scu-rat LD50:1 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 91 (1947),224.
2.    

ivn-rat LD50:500 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 91 (1947),224.
3.    

ipr-mus LDLo:1050 µg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-507 .
4.    

scu-mus LD50:1 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 1 (1946),247.
5.    

orl-rbt LDLo:1500 µg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-507 .
6.    

ivn-rbt LD50:2 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 91 (1947),224.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also AMINES.

Specification

 Ethylbis(beta-chloroethyl)amine hydrochloride , its cas register number is 3590-07-6. It also can be called HN1 .HCl ; HN1 hydrochloride ; N,N-Bis(2-chloroethyl)ethylamine hydrochloride ; TL 329 hydrochloride .