9-Fluorenone
Structural formula
| Business number | 052Y |
|---|---|
| Molecular formula | C13H8O |
| Molecular weight | 180.20 |
| label |
None yet |
Numbering system
CAS number:486-25-9
MDL number:MFCD00001141
EINECS number:207-630-7
RTECS number:LL8925000
BRN number:1636531
PubChem number:24894771
Physical property data
1. Character: yellow crystal
2. Density (g/ m3,25/4℃): 0.9
3. Relative vapor density (g/cm3,air=1): Undetermined
4. Melting point (ºC):80-83
5. Boiling point (ºC,Normal pressure):342
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash Point (ºC):163
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Logarithmic value of partition coefficient for water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Hardly soluble in water
Toxicological data
1 , acute toxicity: mice through abdominal cavityLD50：>2gm/kg, no detailed description except the lethal dose;
2 , Tumorigenic data: rat subcutaneouslyTDLo：300mg/kg/26W-I, tumor–RTECS criteria for tumors, skin and appendages– Tumor
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1、 Molar refractive index:53.92
2、 Molar volume（m3/mol)：144.8
3、 Isotonic specific volume (90.2K):389.5
4、 Surface tension（dyne/cm)：52.3
5、 Polarizability(10-24cm3）：21.37
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 222
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.
Synthesis method
None
Purpose
Used as an intermediate in organic synthesis
