CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | YELLOW RHOMBIC BIPYRAMIDAL CRYSTALS FROM ALCOHOL, BENZENE-PETROLEUM ETHER |
| Boiling Point | 341.5 °C @ 760 MM HG |
| Melting Point | 84 °C |
| Solubility | INSOL IN WATER; SOL IN ALCOHOL, ACETONE, BENZENE; VERY SOL IN ETHER, TOLUENE, HOT BENZENE |
| Density | 1.1300 @ 99 °C/4 °C |
| Vapor Pressure | 0.0000572 [mmHg] |
| LogP | Log Kow = 3.58 |
| Refractive Index | INDEX OF REFRACTION: 1.6369 @ 99 °C/D; SADTLER REFERENCE NUMBER: 7390 (IR, PRISM); MAX ABSORPTION (DIOXANE): 258 NM (LOG E= 4.90), 294 NM (LOG E= 3.62), 328 NM (LOG E= 2.89), 378 NM (LOG E= 2.43) |
| Kovats Retention Index | 1705 1693 1702 1663 1705 1705 293.6 293.09 |
| Chemical Classes | Other Classes -> Polycyclic Aromatic Hydrocarbons |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 180.20 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 180.057514874 g/mol |
| Monoisotopic Mass | 180.057514874 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 222 |
| 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
Fluoren-9-one is the simplest member of the class fluoren-9-ones that is 9H-fluorene bearing an oxo substituent at position 9. It has a role as a fungal xenobiotic metabolite.