2-bromo-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: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

resource:allhdi.com