2-Chlorobenzaldehyde
Structural formula
| Business number | 021P |
|---|---|
| Molecular formula | C7H5ClO |
| Molecular weight | 140 |
| label |
o-chlorobenzaldehyde, o-Chlorobenzaldehyde |
Numbering system
CAS number:89-98-5
MDL number:MFCD00003304
EINECS number:201-956-3
RTECS number:CU5075000
BRN number:385877
PubChem number:24854053
Physical property data
1. Properties: Colorless needle-like crystals or colorless or light yellow oily liquid with the smell of benzaldehyde
2. Density (g/mL, 25/4℃): 1.2432
3. Relative density (20℃, 4℃): 1.2483
4. Melting point (ºC): 11.6℃
5. Boiling point (ºC, normal pressure): 212.5
6. Refractive index at room temperature (n20): 1.5660
7. Refractive index: 1.5660
8. Flash point (ºC): 88
9. Refractive index at room temperature (n25): 1.5638
10. Liquid phase standard claims heat (enthalpy) (kJ· mol-1): -118.4
11. The gas phase standard claims heat (enthalpy) (kJ·mol-1): -62.7
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. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Can melt Soluble in alcohol, ether, acetone and benzene organic solvents, slightly soluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 37.90
2. Molar volume (cm3/mol): 113.0
3. Isotonic specific volume (90.2K ): 288.2
4. Surface tension (dyne/cm): 42.2
5. Polarizability (10-24cm3): 15.02
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: 1
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 17.1
7.Heavy atomsNumber: 9
8. Surface charge: 0
9. Complexity: 103
10. Number of isotope atoms: 0
11. Determine the number of stereocenters of atoms: 0
12. Determine the number of stereocenters of atoms: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
.
This product should be stored in a sealed, cool and dry place.
Synthesis method
It is made from the o-chlorotoluene side chain through chlorine and phosphorus trichloride chlorination process, catalytic hydrolysis, and distillation.
Purpose
O-chlorobenzaldehyde is an important pharmaceutical, fuel and pesticide intermediate. It is mainly used in medicine to synthesize amoxacillin (Cloxacillin).