CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Trinitrobenzoic acid appears as a yellow crystalline solid high explosive. Easily ignited and burns vigorously when dry. Insoluble in water. Will burn when wet, although may be difficult to ignite. Produces toxic oxides of nitrogen during combustion. May explode under exposure to heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments. |
|---|---|
| Color/Form | Orthorhombic or rhombohedral crystals from water |
| Melting Point | 228.7 °C (decomposes) |
| Solubility | Soluble in acetone, methanol; slightly soluble in benzene; at 25 °C: 26.6% in alcohol, 14.7% in ether |
| Vapor Pressure | 0.00000001 [mmHg] |
| Decomposition | Sublimes with decomposition forming CO2 and trinitrobenzene. |
| Dissociation Constants | pKa = 0.65 at 25 °C |
| Other Experimental Properties | Sublimes with decomposition forming carbon dioxide and trinitrobenzene |
| Chemical Classes | Nitrogen Compounds -> Nitrobenzoic Acids |
COMPUTED DESCRIPTORS
| Molecular Weight | 257.11 g/mol |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 1 |
| Exact Mass | 256.99201406 g/mol |
| Monoisotopic Mass | 256.99201406 g/mol |
| Topological Polar Surface Area | 175 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 369 |
| 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
Trinitrobenzoic acid appears as a yellow crystalline solid high explosive. Easily ignited and burns vigorously when dry. Insoluble in water. Will burn when wet, although may be difficult to ignite. Produces toxic oxides of nitrogen during combustion. May explode under exposure to heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments.