2,5-dibromotoluene

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:615-59-8

mdl number:mfcd00000090

einecs number:210-437-0

rtecs number:none

brn number:1859123

pubchem number:24855090

physical property data

1. physical property data

1. density 1.815.

2. boiling point: 135-136℃ (35 mmhg).

3. melting point: 5-6℃.

4. refractive index 1.601-1.603.

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: 46.45

2. molar volume (cm³/mol): 138.0

3. isotonic specific volume (90.2k): 345.9

4. surface tension (dyne/cm): 39.3

5. polarizability (10^-24cm³): 18.41

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: 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: 92.9

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

properties and stability:

the product may not decompose under normal temperature and pressure.

storage method

storage:

seal the container and store it in a sealed main container in a cool, dry place.

synthesis method

g (2.2mol) sodium nitrite powder is added to 1.5l concentrated sulfuric acid below 40°c, and it should be completely dissolved. 122g (1mol) 2,5-diaminotoluene was dissolved in 750ml glacial acetic acid. keep the reaction below 30°c and add it to the prepared nitrosyl sulfuric acid to ensure complete diazotization of the two amino groups; stir for another 10 minutes after the addition. then slowly add the cuprous bromide solution below 40°c [144g (0.57mol) crystallized copper sulfate, 48g (0.75mol) copper chips, 2.4l water, 384g (2.7mol) crystalline sodium bromide, and add while stirring reflux 72g (0.73mol) concentrated sulfuric acid together for 4 to 5 hours to obtain a light yellow solution; if it is still blue, add some sodium sulfite to make the blue color basically disappear. ] steam distillation to obtain 108g of 2,5-dibromotoluene, with a yield of 44%.

purpose

organic synthesis intermediates