α-bromo-o-xylene

α-bromo-o-xylene structural formula

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):223224


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. Polarizability10-24cm3):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.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/28801

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