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.