3-Bromophenanthrene

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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