CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Orange needles; [NTP] |
|---|---|
| Color/Form | Orange needles from methyl carbonate/methanol |
| Melting Point | 190-192 °C |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Kovats Retention Index | 413.95 415.52 415.64 |
| Other Experimental Properties | When heated to decomposition ... emits toxic fumes of NOx |
| 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 |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 247.25 g/mol |
|---|---|
| XLogP3 | 4.9 |
| 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
4-Nitropyrene is a member of pyrenes.