Structural formula
| Business number | 02TB |
|---|---|
| Molecular formula | C6H4BrCl |
| Molecular weight | 191.45 |
| label |
4-bromochlorobenzene, p-bromochlorobenzene, p-chlorobromobenzene, 4-Chloro-1-bromobenzene, 1-bromo-4-chlorobenzene, 4-Chlorobromobenzene, 1-Chloro-4-bromobenzene, 4-Chlorobromobenzene, 4-Bromochlorobenzene, 1,4-Bromochlorobenzene, 1-Bromo-4-chlorobenzene, p-Bromochlorobenzene, p-Chlorobromobenzene, 1-Bromo-4-chloro-benzene, 1-Chloro-4-bromobenzene, Halogenated hydrocarbon solvents, aromatic compounds |
Numbering system
CAS number:106-39-8
MDL number:MFCD00000600
EINECS number:203-392-3
RTECS number:CY9006000
BRN number:1099014
PubChem number:24853538
Physical property data
1. Properties: Colorless needle-like or flaky crystals.
2. Relative density (g/mL, 25/4℃): 1.57671
3. Relative vapor density (g/mL, air = 1): Undetermined
4. Melting point (ºC): 67
5. Boiling point (ºC, normal pressure): 196765
6. Refractive index at room temperature (n25): 1.553170
7. Refractive index (70ºC): 1.5531
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined Determined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Combustion Heat (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. Explosion lower limit ( %, V/V): Undetermined
19. Solubility: Soluble in hot ethanol, ether, benzene and chloroform, insoluble in water.
Toxicological data
None yet
Ecological data
Generally speaking, it is not harmful to water bodies.
Molecular structure data
1. Molar refractive index: 38.83
2. Molar volume (cm3/mol): 117.5
3. Isotonic specific volume (90.2K ): 293.6
4. Surface tension (dyne/cm): 38.9
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 15.39
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
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: 8
8. Surface charge: 0
9. Complexity: 66.9
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
Avoid contact with strong oxidizing agents.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
Originated from bromination of chlorobenzene. Heat chlorobenzene and iron powder to 80°C, add bromine dropwise, and react at 90-100°C for 2.5 hours. After cooling slightly, put it into water, filter and wash, and recrystallize the crude product with ethanol to obtain the finished product.
Purpose
Solvents, organic synthesis intermediates.
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