3-Bromophenanthrene
Structural formula
| Business number | 07ES |
|---|---|
| Molecular formula | C14H9Br |
| Molecular weight | 257.13 |
| label |
aromatic compounds |
Numbering system
CAS number:715-50-4
MDL number:MFCD06797074
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: white crystal
2. Density (g/mL,25/4℃): Undetermined
3. Relative Vapor density (g/mL,Air=1 ): 1.409
4. Melting point (ºC):65 -66
5. Boiling point (ºC,Normal pressure):190
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: undetermined
8. Flash Point (ºC): Undetermined
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/Log value of partition coefficient (water): undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:. Soluble in acetic acid; carbon disulfide
Toxicological data
None yet
Ecological data
Other harmful effects: This substance may be harmful to the environment and Bodies of water should be given special attention.
Molecular structure data
1. Molar refractive index: 69.62
2. Molar volume（m3/ mol）：173.8
3. Isotonic specific volume（90.2K）：465.4
4. Surface Tension(dyne/cm)：51.3
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 27.60
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 5.1
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 225
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
Stable under normal temperature and pressure
Storage method
Store at room temperature.
Synthesis method
Dissolve phenanthrene in dry tetrahydrofuran Carbon chloride, heat to reflux, add bromine dropwise, and continue to reflux to escape the generated hydrogen bromide. The solvent is evaporated from the reaction solution under reduced pressure, and distillation under reduced pressure is continued to collect 177-190℃ (0.16kPa) fraction, which is 9-bromophenanthrene, yield 90%-94%.
Purpose
For organic synthesis
