CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | O-dinitrobenzene is a colorless to yellow solid. Sinks and slowly mixes with water. (USCG, 1999) |
|---|---|
| Color/Form | COLORLESS OR YELLOW CRYSTALS, NEEDLES OR PLATES |
| Boiling Point | 606 °F at 760 mmHg (USCG, 1999) |
| Melting Point | 244.4 °F (USCG, 1999) |
| Flash Point | 302 °F (USCG, 1999) |
| Solubility | 0.05 % (NIOSH, 2023) |
| Density | 1.31 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Density | 5.79 (AIR= 1) |
| Vapor Pressure | 0.0000455 [mmHg] |
| LogP | log Kow = 1.69 |
| Decomposition | When heated to decomposition it emits highly toxic fumes of /nitrogen oxides/, & explodes. |
| Corrosivity | Liquid dinitrobenzene will attack some forms of plastics, rubber, and coatings. /Dinitrobenzene, all isomers/ |
| Ionization Potential | 10.71 eV |
| Kovats Retention Index | 1457.6 |
| Other Experimental Properties | 1 mg/cu m= 0.14 ppm, 1 ppm= 6.99 mg/cu m |
| Chemical Classes | Nitrogen Compounds -> Nitros, Aromatic |
COMPUTED DESCRIPTORS
| Molecular Weight | 168.11 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 168.01710661 g/mol |
| Monoisotopic Mass | 168.01710661 g/mol |
| Topological Polar Surface Area | 91.6 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 173 |
| 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
O-dinitrobenzene is a colorless to yellow solid. Sinks and slowly mixes with water. (USCG, 1999)