α-bromo-o-xylene
Structural formula
| Business number | 021K |
|---|---|
| Molecular formula | C8H9Br |
| Molecular weight | 185.06 |
| label |
2-Methylbenzyl bromide, o-methylbenzyl bromide, 2-Methylbenzyl bromide, 2-Methylbenzyl bromide, CH3C6H4CH2Br |
Numbering system
CAS number:89-92-9
MDL number:MFCD00000174
EINECS number:201-951-6
RTECS number:CY9039100
BRN number:636333
PubChem number:24891941
Physical property data
1. Characteristics: Colorless prismatic crystal.
2. Density ( g/mL,25/4℃): 1.3811
3. Relative vapor density ( g/mL,AIR =1): Undetermined
4. Melting point ( ºC): 21
5. Boiling point ( ºC,Normal pressure):223～224
6. Boiling point ( ºC,5.2kPa): Undetermined
7. Refractive index: 1.5730
8. Flashpoint (ºC): 82
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not OK
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturation vapor pressure (kPa,60ºC<SPAN style="FONT-SIZE: 9pt ; FONT-FAMILY: 宋体; mso-font-kern4. Surface tension (dyne/cm):37.1
5. Polarizability（10-24cm3):17.33
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: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 80.6
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
Storage method
This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
Obtained from the bromination of o-xylene: add iodine and iron powder to o-xylene, cool, add bromine dropwise, and control the reaction temperature not to exceed 5℃, the hydrogen bromide gas released by the reaction is absorbed by an alkali solution. After the addition is completed, leave it at room temperature overnight and use 5 %wash with sodium hydroxide solution until the red color fades, then wash the oil layer with water and undergo steam distillation to obtain4-Br-1,2-Dimethylbenzene. Yield75%.
Purpose
Used in organic synthesis.
N>75%.
Purpose
Used in organic synthesis.
