structural formula
| business number | 03pr |
|---|---|
| molecular formula | c13h9clo |
| molecular weight | 216.67 |
| label |
4-chlorobenzophenone, 4-chlorodiphenylketone, (4-chlorophenyl)phenyl-methanon, photoinitiator, catalyst, photoinitiator, environmental catalyst |
numbering system
cas number:134-85-0
mdl number:mfcd00000622
einecs number:205-160-7
rtecs number:none
brn number:512043
pubchem number:24892495
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
molecular property data:
1、 molar refractive index60.94
2、 molar volume (m3/mol): 179.4
3、 isotonic specific volume（90.2k）：462.7
4、 surface tension(3.0 dyne/cm):44.1
5、 polarizability0.5 10-24 cm3):24.15
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: 2
5. number of tautomers: none
6. topological molecule polar surface area 17.1
7. number of heavy atoms: 15
8. surface charge: 0
9. complexity: 213
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
white crystal powder. melting point 75℃℃
storage method
none
synthesis method
obtained from the condensation of benzoyl chloride and chlorobenzene: in a dry reaction pot, add chlorobenzene and anhydrous aluminum trichloride, stir and raise the temperature to 50°c, and add benzoyl chloride dropwise. after the addition, react at 100-110°c for 5.5 hours. slowly add slightly acidic ice water, stir well and let it stand. remove the supernatant, filter, wash until neutral, and spin dry to obtain 4-chlorobis. benzophenone.
purpose
pharmaceutical intermediates
urcevalue=”24″ hasspace=”false” negative=”true” numbertype=”1″ tcsc=”0″ w:st=”on”>-24cm3):24.15
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: 2
5. number of tautomers: none
6. topological molecule polar surface area 17.1
7. number of heavy atoms: 15
8. surface charge: 0
9. complexity: 213
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
white crystal powder. melting point 75℃℃
storage method
none
synthesis method
obtained from the condensation of benzoyl chloride and chlorobenzene: in a dry reaction pot, add chlorobenzene and anhydrous aluminum trichloride, stir and raise the temperature to 50°c, and add benzoyl chloride dropwise. after the addition, react at 100-110°c for 5.5 hours. slowly add slightly acidic ice water, stir well and let it stand. remove the supernatant, filter, wash until neutral, and spin dry to obtain 4-chlorobis. benzophenone.
purpose
pharmaceutical intermediates
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