CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dibenzo(a,e)pyrene appears as yellow crystals. Water insoluble. |
|---|---|
| Color/Form | Pale yellow needles from xylene |
| Melting Point | 244.4 °C |
| Solubility | Slightly soluble in ethanol, acetone, benzene, acetic acid; soluble in toluene and concentrated sulfuric acid |
| Stability/Shelf Life | Stable under recommended storage conditions.[Sigma-Aldrich; Safety Data Sheet for Dibenzo |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides.[Sigma-Aldrich; Safety Data Sheet for Dibenzo |
| Kovats Retention Index | 3507 3507 3507 |
| Other Experimental Properties | Oxidized by sodium dichromate in glacial acetic acid, first to dibenzo(a,e)pyrene-8,14-quinone and then to 9,14-dioxo-9,14-dihydro-dibenz(a,c)anthracene carboxylic acid. Reacts with bromine or acetyl chloride to give mono substitution products, 1-bromodibenzo(a,e)pyrene or 1-acetodibenzo(a,e)pyrene. |
| Chemical Classes | Other Classes -> Polycyclic Aromatic Hydrocarbons |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Health Hazard GHS08 |
| GHS Hazard Statements |
H318:Serious eye damage/eye irritation H351:Carcinogenicity |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 302.4 g/mol |
|---|---|
| XLogP3 | 7.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 302.109550447 g/mol |
| Monoisotopic Mass | 302.109550447 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 480 |
| 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
Dibenzo(a,e)pyrene appears as yellow crystals. Water insoluble.