α-bromo-o-xylene

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: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.