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538-07-8

538-07-8 structural image
Product Name: bis(2-chloroethyl)ethylamine
Formula: C6H13Cl2N
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Ethylbis(2-chloroethyl)amine is a dark liquid with a faint, fishy amine odor. Used as a delayed-action, military casualty agent.
Color/Form Colorless/pale yellow liquid
Odor Faint fishy, amine odor
Boiling Point 185 °F at 12 mmHg (EPA, 1998)
Melting Point -29 °F (EPA, 1998)
Flash Point High enough not to interfere with military use of the agent (EPA, 1998)
Solubility In water, 160 mg/l @ 25 °C
Density 1.0861 at 73.4 °F (EPA, 1998) - Denser than water; will sink
Vapor Density 5.9 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 0.24 mmHg at 77 °F (EPA, 1998)
LogP log Kow = 2.02 @ 25 °C /Estimated/
Henry's Law Constant Henry's Law constant = 3.5X10-4 atm-cu m/mole @ 25 °C /Estimated/
Decomposition When heated to decomposition it emits very toxic fumes of /Hydrogen Chloride and Nitrogen Oxide/.
Heat of Vaporization 77 calories per gram
Refractive Index Index of refraction =1.4653 at 25 °C/D
Dissociation Constants pKa= 6.57
Relative Evaporation Rate Volatility at 25 °C: 2.29 mg/l
Kovats Retention Index 1156 1152.5 1153.33 1156
Other Experimental Properties Boils at 66 °C if the pressure is 3 mm Hg; boils at 85.5 °C if the pressure is 12 mm Hg
Chemical Classes Toxic Gases & Vapors -> Chemical Weapons

COMPUTED DESCRIPTORS

Molecular Weight 170.08 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 169.0425048 g/mol
Monoisotopic Mass 169.0425048 g/mol
Topological Polar Surface Area 3.2 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 53
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Ethylbis(2-chloroethyl)amine is a dark liquid with a faint, fishy amine odor. Used as a delayed-action, military casualty agent.