2-(trifluoromethyl)phenothiazine

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:92-30-8

mdl number:mfcd00005018

einecs number:202-145-7

rtecs number:sp5620000

brn number:226580

pubchem id:none

physical property data

1. character: crystalline compound

2. density (g/ml, 25/4℃): undetermined

3. relative vapor density (g/ml, air =1): undetermined

4. melting point (ºc): 188-190

5. boiling point (ºc, normal pressure): undetermined

6 . boiling point (ºc, 5.2kpa): not determined

7. refractive index: not determined

8. flash point (ºc): not determined

9 . specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): undetermined

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 : undetermined

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 65.67

2. molar volume (cm³/mol): 195.0

3. isotonic specific volume (90.2k ): 492.2

4. surface tension (dyne/cm): 40.5

5. polarizability (10-24cm3): 26.03

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: 5

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: 18

8. surface charge: 0

9. complexity: 307

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

this product should be stored in a sealed, cool, dry place.

synthesis method

use 2-carboxy-3-(trifluoromethyl)diphenylamine (i.e., the synthetic antibacterial agent flufenamic acid) through high-temperature catalytic decarboxylation (200°c, iron powder) to generate 3-(trifluoromethyl)diphenylamine. the latter is heated with sulfur in the presence of iodine, and the product is obtained after cyclization.

purpose

intermediates of trifluoperazine and fluphenazine.