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