2,4-Dibromophenol

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:615-58-7

MDL number:MFCD00002149

EINECS number:210-436-5

RTECS number:SK8010000

BRN number:1861291

PubChem number:24855633

Physical property data

1. Physical property data

1. Characteristics White crystal with unpleasant odor.

2. Melting point (ºC): 40

3. Solubility Slightly soluble in water, soluble in ethanol, ether, carbon disulfide and benzene.

4. Boiling point (ºC): 238~239

5. Relative density (20℃, 4℃): 2.07

6. Flash point (ºC):＞110

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: 43.51

2. Molar volume (cm³/mol): 120.2

3. Isotonic specific volume (90.2K): 323.2

4. Surface tension (dyne/cm): 52.2

5. Polarizability (10^-24cm³): 17.25

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 3

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 97.1

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:

1. The product may not decompose under normal temperature and pressure.

2. Exist in mainstream smoke.

3. Toxic and irritating.

Storage method

Storage:

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

Synthesis method

Weigh 23.5g (0.25mol) phenol and 70g hydrobromic acid (relative density 1.49), heat slightly to dissolve the phenol, and then use an ice-salt bath to cool to -10°C. Keep the temperature below 10°C and slowly add a mixture of 80g (0.5mol) bromine and 40g hydrobromic acid (pay attention to ventilation). After the addition is completed, maintain it at 0°C for 1 hour, and then heat to 30°C until the bromine color fades. Let it stand for 3 hours, pour off the supernatant, and wash the remaining dibromophenol with warm water several times and dry it in a vacuum dryer to obtain 55g of crude product (88%) with a melting point of 37~38°C. Recrystallize once in low-boiling petroleum ether to obtain pure product, melting point 40℃.

Purpose

Used as an intermediate in organic synthesis.