CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Nitrotriazolone nto appears as a solid or liquid. May explode under prolonged exposure to heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments. |
|---|---|
| Color/Form | White to pale yellow crystalline powder |
| Odor | Odorless |
| Boiling Point | Undergoes thermal degradation at temperatures above its melting point |
| Melting Point | 268-271 °C |
| Solubility | In water: 17,200 mg /L at 25 °C |
| Density | 1.9 g/cu cm at 20 °C |
| LogP | log Kow = -1.699 at 22 °C (OECD Guidelne 117) |
| Decomposition | When heated to decomposition it emits toxic vapors of NOx. |
| Heat of Combustion | Enthalpy of Combustion: -934.4 kJ/mol (crystal phase) |
| pH | Described as a strong acid with pH of 2.35 when in a 0.1M solution |
| Dissociation Constants | pKa = 3.76 at 20 °C |
| Other Experimental Properties | Heat capacity: 124.5 J/mol-K at 320 K |
COMPUTED DESCRIPTORS
| Molecular Weight | 130.06 g/mol |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 130.01268994 g/mol |
| Monoisotopic Mass | 130.01268994 g/mol |
| Topological Polar Surface Area | 99.3 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 191 |
| 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
Nitrotriazolone nto appears as a solid or liquid. May explode under prolonged exposure to heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments.