CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow solid; [HSDB] Gold solid; [MSDSonline] |
|---|---|
| Color/Form | Yellow needles or prisms from ethanol |
| Melting Point | 155 °C |
| Solubility | Very soluble in diethyl ether; soluble in ethanol and benzene at 15 °C; soluble in toluene and tetrahydrofluorenone. |
| Vapor Pressure | 0.00000006 [mmHg] |
| LogP | log Kow= 5.06 |
| Stability/Shelf Life | Photodecomposition to 2-propanol is readily induced by ultra-violet/ visible light. |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Kovats Retention Index | 425.5 |
| Chemical Classes | Other Classes -> Polycyclic Aromatic Hydrocarbons |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H351:Carcinogenicity |
| Precautionary Statement Codes |
P281:Use personal protective equipment as required. |
COMPUTED DESCRIPTORS
| Molecular Weight | 247.25 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 247.063328530 g/mol |
| Monoisotopic Mass | 247.063328530 g/mol |
| Topological Polar Surface Area | 45.8 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 377 |
| 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
1-nitropyrene is a nitroarene that is pyrene substituted at the 1-position by a nitro group. A by-product of combustion, it is the predominant nitrated polycyclic aromatic hydrocarbon emitted in a diesel engine. It has a role as a carcinogenic agent. It derives from a hydride of a pyrene.