CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Triaziquone appears as purple needle-like crystals. (NTP, 1992) |
|---|---|
| Color/Form | Purple needles crystals from ethyl acetate |
| Melting Point | 324 to 325 °F (NTP, 1992) |
| Solubility | Sparingly soluble (NTP, 1992) |
| Vapor Pressure | 3.4X10-6 mm Hg at 25 °C /Estimated/ |
| LogP | log Kow = -0.13 |
| Henry's Law Constant | Henry's Law constant = 9.3X10-16 atm cu m/mol at 25 °C /Estimated/ |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxide/. |
| Dissociation Constants | pKa = 1.6 /Estimated/ |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 3.1X10-11 cu cm/molec-sec at 25 °C /Estimated/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 231.25 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 231.100776666 g/mol |
| Monoisotopic Mass | 231.100776666 g/mol |
| Topological Polar Surface Area | 43.2 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 494 |
| 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
Triaziquone appears as purple needle-like crystals. (NTP, 1992)