2-chlorophenothiazine

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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.