2-Bromoethylbenzene (2-Bromoethyl)benzene
Structural formula
| Business number | 02NW |
|---|---|
| Molecular formula | C8H9Br |
| Molecular weight | 185 |
| label |
bromophenylethane, 2-Phenylbromoethane, 2-Bromoethylbenzene, β-Bromophenylethane, β-bromoethylbenzene, bromoethylbenzene, (2-bromoethyl)benzene, b-Phenylethyl bromide, beta-Bromoethyl benzene, beta-Bromophenylethane |
Numbering system
CAS number:103-63-9
MDL number:MFCD00000240
EINECS number:203-130-8
RTECS number:CY9032000
BRN number:507487
PubChem ID:None
Physical property data
1. Properties: liquid.
2. Density (g/mL, 25/4℃): 1.366
3. Relative density (25℃, 4℃): 1.3587
4 . Melting point (ºC): -55.9
5. Boiling point (ºC, normal pressure): 217.5
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: 1.5473
8. Flash point (ºC): 71
9. Specific rotation (º): Undetermined
10 . Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
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: Miscible with most organic solvents, slightly soluble in water.
Toxicological data
Acute toxicity: Rat oral LD50: 811mg/kg;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 43.53
2. Molar volume (cm3/mol): 135.4
3. Isotonic specific volume (90.2K ): 336.0
4. Surface tension (dyne/cm): 37.8
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 17.25
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: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 65
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
Avoid contact with strong oxidizing agents.
Storage method
Synthesis method
Obtained from the reaction of phenylethyl alcohol and hydrogen bromide. Heat phenyl alcohol to 110°C, slowly introduce hydrogen bromide, and reflux the reaction. After the reaction is completed, cool and wash with water, 10% sodium carbonate solution, and water in sequence. Dry with anhydrous potassium carbonate and fractionate under reduced pressure to collect the 97-99°C (2.0kPa) fraction with a yield of over 90%.
Purpose
Used as pharmaceutical and pesticide intermediates
