9-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:573-17-1

MDL number:MFCD00001174

EINECS number:209-351-6

RTECS number:SF7197000

BRN number:1869927

PubChem number:24850655

Physical property data

1. Physical property data

1. Properties: white crystal

2. Density (g/mL, 25/4℃): 1.409

3 . Melting point (℃): 65-66℃

4. Boiling point (ºC, 0.16kpa): 190℃

5. Solubility: Soluble in acetic acid and carbon disulfide.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 69.62

2. Molar volume (cm³/mol): 173.8

3. Isotonic specific volume (90.2K): 465.4

4. Surface tension (dyne/cm): 51.3

5. Polarizability (10^-24cm³): 27.60

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: 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

None yet

Storage method

None yet

Synthesis method

Dissolve phenanthrene in dry carbon tetrachloride, heat to reflux, add bromine dropwise, and continue to reflux to escape the generated hydrogen bromide. The solvent was evaporated from the reaction solution under reduced pressure, and distillation under reduced pressure was continued to collect the 177-190°C (0.16kPa) fraction, which is 9-bromophenanthrene, with a yield of 90%-94%.

Purpose

Used in organic synthesis.