2-Bromo-4-chlorophenol structural formula

Structural formula

Business number 07AN
Molecular formula C6H4BrClO
Molecular weight 207.45




aromatic compounds

Numbering system

CAS number:695-96-5

MDL number:MFCD00002319

EINECS number:211-785-6

RTECS number:None

BRN number:2042871

PubChem number:24891899

Physical property data

1. Properties: slightly white powder.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 31-33

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): >110

9. Specific rotation (º): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit ( %, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Undetermined.

Toxicological data

None yet

Ecological data

Do not allow undiluted or large quantities of products that are slightly hazardous to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 40.71

2. Molar volume (cm3/mol): 115.9

3. Isotonic specific volume (90.2K ): 308.6

4. Surface tension (dyne/cm): 50.1

5. Dielectric constant:

6. Dipole moment (10-24cm3):

7. Polarizability: 16.14

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. Tautomers.Mass: 3

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 99.1

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. No Determine the number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Keep away from oxides.

Storage method

Store in an airtight container in a cool, dry place. Store away from oxidizing agents.

Synthesis method

At room temperature and stirring,will 165g (1.03 mol) bromine was slowly added to a solution of 128.5 g (1.00 mol) p-chlorophenol and 800 mL carbon tetrachloride. Leave it overnight and evaporate the solvent. The residue was extracted with aqueous sodium hydroxide solution. After the extract is acidified, an oily substance precipitates. Distill under reduced pressure to obtain 2-bromo-4-chlorophenol (62%), with a boiling point of 121~123°C (1.33kPa) and a melting point of 33~34°C.


Organic synthesis, pharmaceutical intermediates.


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