β-Bromophene
Structural formula
| Business number | 05ZU |
|---|---|
| Molecular formula | C8H9BrO |
| Molecular weight | 201.06 |
| label |
(2-bromoethoxy)benzene, (alpha-bromoethoxy)benzene, Phenoxyethyl bromide, 2-Bromoethoxybenzene, 2-Bromoethyl phenyl ether, C6H5OCH2CH2Br |
Numbering system
CAS number:589-10-6
MDL number:MFCD00000234
EINECS number:209-634-4
RTECS number:None
BRN number:508290
PubChem number:24892007
Physical property data
1. Properties: liquid or solid.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 34
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.33kPa): 144
7. Refractive index: Undetermined
8. Flash point (ºC): 65
9. Specific 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. 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: Easily soluble in ethanol and ether, insoluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
None
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: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 9.2
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 79.3
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
Irritant to eyes, respiratory system and skin.
Storage method
This product should be sealed and stored in a cool place.
Synthesis method
Obtained from the reaction of phenol and dibromoethane. Stir and mix phenol, dibromoethane and sodium hydroxide in a reaction pot, react at 110°C for 6 hours, recover dibromoethane, the recovery amount is about 60%, wash with 5% sodium hydroxide solution and water, and separate Take the oil layer, distill it under reduced pressure, and collect the 130-150°C (6.7kPa) fraction to obtain (2-bromoethoxy)benzene.
Purpose
Used in organic synthesis.
