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.