CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Mobile liquid; faint odor of herring. Used as a drug for the treatment of cancer. Formerly used as a gas warfare agent. |
|---|---|
| Color/Form | Mobile liquid |
| Odor | Faint odor of herring |
| Boiling Point | 189 °F at 18 mmHg (EPA, 1998) |
| Melting Point | -76 °F (EPA, 1998) |
| Solubility | Very soluble |
| Density | 1.118 at 77 °F (EPA, 1998) - Denser than water; will sink |
| Vapor Density | 5.9 (Air=1) |
| Vapor Pressure | 0.42 [mmHg] |
| LogP | 0.91 |
| Henry's Law Constant | Henry's Law constant = 8.5X10-8 atm-cu m/mol @ 25 °C /Estimated/ |
| Stability/Shelf Life | The undiluted liquid decomposes on standing and forms polymeric quaternary ammonium salts which are insoluble in the free base. |
| Dissociation Constants | 6.43 (at 25°C) |
| Collision Cross Section | 126.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 1052 1058 |
| Other Experimental Properties | Volatility at 25 °C: 3.581 mg/l |
| Chemical Classes | Toxic Gases & Vapors -> Chemical Weapons |
COMPUTED DESCRIPTORS
| Molecular Weight | 156.05 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 155.0268547 g/mol |
| Monoisotopic Mass | 155.0268547 g/mol |
| Topological Polar Surface Area | 3.2 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 43.7 |
| 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
Mobile liquid; faint odor of herring. Used as a drug for the treatment of cancer. Formerly used as a gas warfare agent.