CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Tris(2-chloroethyl)amine is a liquid with faint odor of fish and soap, no odor when pure. Used as a delayed-action casualty military agent. |
|---|---|
| Color/Form | Mobile liquid |
| Odor | Faint odor of fish + soap |
| Boiling Point | 493 °F at 760 mmHg (calculated, decomposes) (EPA, 1998) |
| Melting Point | 25 °F (EPA, 1998) |
| Flash Point | High enough not to interfere with military use of the agent (EPA, 1998) |
| Solubility | The undiluted liq decomp on standing and forms polymeric quaternary ammonium salts which are insol in the free base |
| Density | 1.2347 (EPA, 1998) - Denser than water; will sink |
| Vapor Density | 7.1 (EPA, 1998) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 0.0109 mmHg at 77 °F (EPA, 1998) |
| LogP | log Kow = 2.27 /Estimated/ |
| Henry's Law Constant | Henry's Law constant = 1.85X10-5 atm-cu m/mol @ 25 °C /Estimated, VP/WSOL/ |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides and hydrogen chloride/. |
| Refractive Index | Index of refraction: 1.4925 @ 25 °C/D |
| Dissociation Constants | pKa = 4.64 (conjugate acid) |
| Relative Evaporation Rate | Volatility at 25 °C: 0.120 mg/l; boils at 144 °C if the pressure is 15 mm Hg |
| Kovats Retention Index | 1361 1405 |
| Other Experimental Properties | Crystals, MP: 130-131 °C; freely sol in water, sol in alcohol /Hydrochloride, C6H13Cl4N/ |
| Chemical Classes | Toxic Gases & Vapors -> Chemical Weapons |
COMPUTED DESCRIPTORS
| Molecular Weight | 204.5 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 6 |
| Exact Mass | 203.003532 g/mol |
| Monoisotopic Mass | 203.003532 g/mol |
| Topological Polar Surface Area | 3.2 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 55.7 |
| 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
Tris(2-chloroethyl)amine is a liquid with faint odor of fish and soap, no odor when pure. Used as a delayed-action casualty military agent.