4-Methyl benzyl bromide α-Bromo-p-xylene
Structural formula
| Business number | 02QP |
|---|---|
| Molecular formula | C8H9Br |
| Molecular weight | 185.06 |
| label |
p-methylbenzyl bromide, 4-methylbenzyl bromide, alpha-bromo-p-xylene, 4-Methylbenzyl bromide, p-Methyl benzyl bromide, 4-Methylbenzyl bromide, p-xylyl bromide, 1-(Bromomethyl)-4-methyl-benzen, alpha-Bromo-p-xylen, alpha-Bromo-p-xylol, Bromo-p-xylene, omega-Bromo-p-xylene, P-(Bromomethyl)toluene |
Numbering system
CAS number:104-81-4
MDL number:MFCD00000181
EINECS number:203-240-6
RTECS number:CY9039300
BRN number:507389
PubChem ID:None
Physical property data
1. Properties: liquid or crystal.
2. Density (g/mL, 20℃): 1.324
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 34-36
5. Boiling point (ºC, normal pressure): 218-220
6. Boiling point (ºC, 2.27kPa): 113- 115
7. Refractive index: Undetermined
8. Flash point (ºC): 97
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20.2ºC): Not determined
12. Saturation Vapor pressure (kPa, ºC): 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: Easily soluble in acetone and ether. Easily volatile and easily hydrolyzed.
Toxicological data
1. Acute toxicity: rabbit inhalation LCLO: 200mg/m3/30M
Ecological data
Generally speaking, it is not harmful to water bodies.
Molecular structure data
1. Molar refractive index: 43.72
2. Molar volume (cm3/mol): 135.2
3. Isotonic ratioCapacity (90.2K): 333.8
4. Surface tension (dyne/cm): 37.1
5. Dielectric constant: 2.27
6. Dipole Distance (10-24cm3):
7. Polarizability: 17.33
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: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 72.6
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 oxides and alkali.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. Keep container tightly sealed. They should be stored separately from oxidants and strong alkali, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
Obtained from the reaction of p-xylene and bromine. Heat p-xylene to 120°C, add bromine and stir the reaction under strong light irradiation. After the reaction, the hydrobromic acid is removed. The reaction product was dried and distilled under reduced pressure to obtain 4-methylbenzyl bromide.
Purpose
Used in organic synthesis.
