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.