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).