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62078-98-2
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Basic Information
CAS No.: 62078-98-2
Name: DSP 4
Molecular Structure:
Molecular Structure of 62078-98-2 (DSP 4)
Formula: C11H15BrClN
Molecular Weight: 276.604
Synonyms: DSP 4;Lopac-C-8417;n-(2-bromobenzyl)-2-chloro-n-ethylethanamine;az-Dsp 4;2-Bromo-N-(2-chloroethyl)-N-ethylbenzenemethanamine;N-(2-Chloroethyl)-N-ethyl-2-bromobenzylamine;C11H15BrClN;Benzenemethanamine,2-bromo-N-(2-chloroethyl)-N-ethyl;
Boiling Point: 276.7°C at 760 mmHg
Flash Point: 121.1°C
Hazard Symbols: A poison.
Safety: A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx, F−, and Cl−.
PSA: 3.24000
LogP: 3.50980
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Chemistry

IUPAC Name: N-[(2-Bromophenyl)methyl]-2-chloro-N-ethylethanamine
Synonyms of N-(2-Chloroethyl)-N-ethyl-2-bromobenzylamine (CAS NO.62078-98-2): 2-Bromo-N-(2-chloroethyl)-N-ethylbenzenemethanamine ; Benzenemethanamine, 2-bromo-N-(2-chloroethyl)-N-ethyl-
InChI: InChI=1/C11H15BrClN/c1-2-14(8-7-13)9-10-5-3-4-6-11(10)12/h3-6H,2,7-9H2,1H3
InChIKey: SDJLVPMBBFRBLL-UHFFFAOYAZ
Std. InChI: InChI=1S/C11H15BrClN/c1-2-14(8-7-13)9-10-5-3-4-6-11(10)12/h3-6H,2,7-9H2,1H3
Std. InChIKey: SDJLVPMBBFRBLL-UHFFFAOYSA-N
CAS NO: 62078-98-2
Molecular Formula: C11H15BrClN
Molecular Weight: 276.6005
Molecular Structure :
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 3.24 Å2
Index of Refraction: 1.551
Molar Refractivity: 65.96 cm3
Molar Volume: 206.5 cm3
Surface Tension: 39.4 dyne/cm
Density: 1.338 g/cm3
Flash Point: 121.1 °C
Enthalpy of Vaporization: 51.52 kJ/mol
Boiling Point: 276.7 °C at 760 mmHg
Vapour Pressure: 0.00473 mmHg at 25°C

Toxicity Data With Reference

1.    

ipr-rat TDLo:50 mg/kg

     PHTOEH    Pharmacology and Toxicology (Copenhagen). 88 (2001),152.

Safety Profile

A poison by intraperitoneal route. When N-(2-Chloroethyl)-N-ethyl-2-bromobenzylamine (CAS NO.62078-98-2 ) is heated to decomposition, it emits toxic vapors of NOx, F−, and Cl−.