CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Powder; [Alfa Aesar MSDS] |
|---|---|
| Color/Form | Crystals from ethanol |
| Boiling Point | 360 °C |
| Melting Point | 182.4 °C |
| Solubility | In water, 5.60X10-2 mg/L at 25 °C |
| Vapor Pressure | 0.00000247 [mmHg] |
| LogP | log Kow = 5.69 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Kovats Retention Index | 2106 2156.7 2120.8 355.7 |
| Other Experimental Properties | Questionable carcinogen with experimental carcinogenic and tumorigenic data |
| Chemical Classes | Other Classes -> Polycyclic Aromatic Hydrocarbons |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 206.28 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 206.109550447 g/mol |
| Monoisotopic Mass | 206.109550447 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 194 |
| 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 |