Structural formula
| Business number | 05V3 |
|---|---|
| Molecular formula | C8H9Br |
| Molecular weight | 185.06 |
| label |
2-bromo-m-xylene, 2,6-Dimethylbromobenzene, 2-Bromo-1,3-dimethylbenzene, 2,6-Dimethylphenylbromide, 2-Bromo-1,3-dimethyl-benzen, aromatic compounds |
Numbering system
CAS number:576-22-7
MDL number:MFCD00000075
EINECS number:209-397-7
RTECS number:CY9020000
BRN number:1929780
PubChem number:24851276
Physical property data
1. Physical property data
1. Density: 1.389g/mL at 25 °C (lit.
2. Melting point (ºC): -10
3. Boiling point (ºC, 5.2kPa): 206
4. Refractive index: n20/D 1.554(lit.)
5. Flash point (ºC): 73
Toxicological data
None yet
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 43.59
2. Molar volume (cm3/mol): 138.1
3. Isotonic specific volume (90.2K): 333.0
4. Surface tension (dyne/cm): 33.7
5. Polarizability (10-24cm3): 17.28
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 0
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
Stability and Reactivity:
Materials to avoid: Oxides.
Products to be decomposed: carbon monoxide and carbon dioxide, hydrogen bromide.
Storage method
Storage:
Seal the container and store it in a sealed main container in a cool, dry place.
Synthesis method
Add 610g (5mol) 2,6-dimethylaniline and 3.75L hydrogen into a 5L beakerBromic acid, cool it under rapid stirring to form fine crystals, and use an ice-salt bath for external cooling. Control the reaction temperature to be lower than 15°C, and remove the liquid surface from the liquid surface under stirring. Slowly add a solution of 385g (5.5mol) sodium nitrite dissolved in 400mL water. Gradually add this diazonium salt solution into a heated reactor with a reflux condenser; after the nitrogen evolution reaction has eased, incubate it in an 80°C water bath for 3 hours. Steam distill or heat to evaporate the crude product, wash it three times with 10% NaOH, wash with water, dry and fractionate under reduced pressure. Collect the 80~84°C (1.7~2.0kPa) fraction to obtain 680g (73%) of the product. 
Purpose
Organic synthesis, pharmaceutical intermediates
微信扫一扫打赏
