4-Methylbenzyl chloride 4-Methylbenzyl chloride
Structural formula
| Business number | 02QQ |
|---|---|
| Molecular formula | C8H9Cl |
| Molecular weight | 140.61 |
| label |
4-methylbenzyl chloride, 4-methylbenzyl chloride, p-methylbenzyl chloride, p-methylbenzyl chloride, 4-methylphenyl chloride, 4-Methylbenzyl chloride, Alpha-chloro-p-xylene, MBC, Methylbenzylchloride(4-), 4-Methylbenzyl chloride, a-Chloro-p-xylene, alpha-Chloro-4-xylene, alpha-Chloro-p-xylene, Akosbbs-00003956, P-Xylyl chloride |
Numbering system
CAS number:104-82-5
MDL number:MFCD00000919
EINECS number:203-241-1
RTECS number:ZE4030000
BRN number:507387
PubChem number:24892958
Physical property data
1. Properties: fuming liquid.
2. Density (g/mL, 20℃): 1.0521
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 4
5. Boiling point (ºC, normal pressure): 200~202
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index: 1.5360
8. Flash point (ºC): 75
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20.2ºC): Not determined
12. Saturated 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: Miscible with absolute ethanol and ether, almost insoluble in water .
Toxicological data
Acute toxicity: Mammalian oral LD50: 1100mg/kg;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 40.84
2. Molar refractive index: 40.84
2. Molar refractive index� Volume (cm3/mol): 133.5
3. Isotonic specific volume (90.2K): 320.1
4. Surface tension (dyne/cm) :33.1
5. Dielectric constant: 2.27
6. Dipole moment (10-24cm3):
7. Polarizability: 16.19
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 alkalis, amines, alcohols, and oxidants.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, alkalis, alcohols, etc. and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None
Purpose
Used in organic synthesis and solvents.
