CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Orange-yellow needles, recrystallzed from benzene; yellow crystalline solid; orange crystals |
|---|---|
| Melting Point | 250.5-251 °C; 255-256 °C |
| Solubility | Limited solubility in toluene and benzene |
| LogP | log Kow = 5.44 |
| Decomposition | When heated to decomposition it emits toxic fumes of NOx. |
| Kovats Retention Index | 490.9 |
| Other Experimental Properties | Reacts with chromic acid in acetic acid to form 7-oxo-7 H-benz(de)-anthracene dicarboxylic acid-3,4-anhydride. |
| Chemical Classes | Other Classes -> Polycyclic Aromatic Hydrocarbons |
COMPUTED DESCRIPTORS
| Molecular Weight | 297.3 g/mol |
|---|---|
| XLogP3 | 6.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 297.078978594 g/mol |
| Monoisotopic Mass | 297.078978594 g/mol |
| Topological Polar Surface Area | 45.8 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 487 |
| 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
6-Nitrobenzo[a]pyrene is an ortho- and peri-fused polycyclic arene.