HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benz(a)anthracene, 1,2-dihydro-
1,2-Dihydrobenz[a]anthracene · Benz[a]anthracene, 1,2-dihydro-
Identifiers & Physical Properties
| CAS No. | 60968-08-3 |
|---|---|
| Molecular formula | C18H14 |
| Average molar mass | 230.3 g/mol |
| Monoisotopic mass | 230.10955045 g/mol |
| SMILES | C1=Cc2ccc3cc4ccccc4cc3c2CC1 |
| InChIKey | QAOBWUDWTZDFAO-UHFFFAOYSA-N |
| PubChem CID | 43513 |
| DTXSID | DTXSID40209818 |
Chemical & Physical Properties
| XLogP | 5.2 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 0 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 329 |
| Boiling point | 307.3°C (rough estimate) |
| Density | 1.0829 (estimate) |
| Refractive index | 1.5500 (estimate) |
| Solubility | Ethyl Acetate |
| Physical state | Solid |
| Color | Yellow |
Applications & Uses
Uses
1,2-Dihydro-benz[a]anthracene is an intermediate of Benz[a]anthracene-1r,2t,3c,4t-tetrahydro-1,2,3,4-tetrol (B183585), which is an immunosuppressor and a laboratory carcinogen.