2-(trifluoromethyl)phenothiazine
structural formula
| business number | 024h |
|---|---|
| molecular formula | c13h8f3ns |
| molecular weight | 267.27 |
| label |
2-trifluoromethylphenothiazine |
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.
