4-Bromodiphenyl ether 4-Bromodiphenyl ether
Structural formula
| Business number | 02KS |
|---|---|
| Molecular formula | C12H9BrO |
| Molecular weight | 249.10 |
| label |
4-Bromodiphenyl ether, 4-bromophenyl phenyl ether, 4-Bromodiphenyl ether, 4-Bromophenyl phenyl ether, BrC6H4OC6H5 |
Numbering system
CAS number:101-55-3
MDL number:MFCD00000094
EINECS number:202-952-4
RTECS number:None
BRN number:1308972
PubChem number:24891913
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 20℃): 1.423
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 18
5. Boiling point (ºC, normal pressure): 305
6. Boiling point (ºC, kpa): Undetermined
7. Refractive index: 1.607
8. Flash point (ºC): 112
9. Specific rotation (º): Undetermined
10 . Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, ºC): Not determined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure ( KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
It is extremely harmful to water and toxic to fish. Do not let the product enter the water body.
Molecular structure data
1. Molar refractive index: 60.38
2. Molar volume (cm3/mol): 176.2
3. Isotonic specific volume (90.2K ): 448.8
4. Surface tension (dyne/cm): 42.1
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 23.93
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: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 9.2
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 158
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with strong oxidizing agents.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None yet
Purpose
None yet