HuagongsheHuagongshe Chemistry Print Report · For research reference only
9H-Fluoren-1-ol
NSC 51310 · 1-FLUORENOL · Fluoren-1-ol · 9H-Fluoren-1-ol · l-hydroxyfluorene · 1-Hydroxyfluorene · 1-Hydroxy-9H-fluorene
Identifiers & Physical Properties
| CAS No. | 28724-53-0 |
|---|---|
| Molecular formula | C13H10O |
| Average molar mass | 182.22 g/mol |
| Monoisotopic mass | 182.07316494 g/mol |
| SMILES | Oc1cccc2c1Cc1ccccc1-2 |
| InChIKey | PWFLISNWYDWJHX-UHFFFAOYSA-N |
| PubChem CID | 96087 |
| DTXSID | DTXSID40951380 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 213 |
| Melting point | 116-119°C |
| Boiling point | 341.573±21.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.242±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| Storage conditions | Refrigerator |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 10.037±0.20(predicted) |
| Color | Pale Yellow to Light Yellow |
Applications & Uses
Uses
A metabolite of the PAH micropollutant Fluorene (F462002) with potential mutagenic effects. It is used as biomarkers to evaluate exposure to PAHs and environmental tobacco smoke in general population.
Uses
As a metabolite of the PAH micropollutant Fluorene (F462002) with potential mutagenic effects, fluoren-1-ol is used as biomarkers to evaluate exposure to PAHs and environmental tobacco smoke in general population.