2-Bromo-4-chlorophenol
Structural formula
| Business number | 07AN |
|---|---|
| Molecular formula | C6H4BrClO |
| Molecular weight | 207.45 |
| label |
o-bromo-p-chlorophenol, 2-Bromo-4-chlorophenol, BrC6H3(Cl)OH, 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.
Purpose
Organic synthesis, pharmaceutical intermediates.