2-Chlorophenothiazine
Structural formula
| Business number | 024L |
|---|---|
| Molecular formula | C12H8ClNS |
| Molecular weight | 233.72 |
| label |
2-Chloro-10H-phenothiazine, 2-Chlorothiodiphenylamine |
Numbering system
CAS number:92-39-7
MDL number:MFCD00005016
EINECS number:202-152-5
RTECS number:SN7580000
BRN number:176587
PubChem number:24892856
Physical property data
1. Character:Yellow crystal
2. Density (g/mL,25/4℃)： Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC):196-199℃(decomposed)
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash Point (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
3. Isotonic specific volume (90.2K): 470.9
4. Surface Tension (dyne/cm):54.2
5. Polarizability（10-24cm3):26.00
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 236
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
None yet
Storage method
Should be stored away from light.
Synthesis method
Obtained from the cyclization of m-chlorodiphenylamine. Add m-chlorodiphenylamine and sulfur into the reaction pot and raise the temperature to 70℃, add iodine. Raise to 120℃ , reduce pressure and discharge hydrogen sulfide, Then heat to168-172 ℃, insulation0.5h. Cool, add chlorobenzene and activated carbon, and heat to reflux 1h. Filter while hot, and cool the filtrate until15</SPAN ℃Crystal. Filter, and wash each filter cake with chlorobenzene and ethanol1 Times, get2-Chlorophenothiazine.
Purpose
Pharmaceutical intermediate, used for the preparation of chlorpromazine and perphenazine.
CING: 0.4pt; mso-ascii-font-family: ‘Times New Roman'”>, reduce the pressure to discharge the hydrogen sulfide, and then raise the temperature to 168-172℃, insulation0.5h. Cool, add chlorobenzene and activated carbon, heat to reflux1h. Filter while hot and cool the filtrate to15℃Crystal. Filter, and wash each filter cake with chlorobenzene and ethanol1 Times, get2-Chlorophenothiazine.
Purpose
Pharmaceutical intermediate, used for the preparation of chlorpromazine and perphenazine.