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