2-chlorothioxanthone

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:86-39-5

mdl number:mfcd00005067

einecs number:201-667-2

rtecs number:none

brn number:none

pubchem number:24892945

physical property data

1. characteristics: yellow crystal.

2. density (g/ml,25/4℃): undetermined

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

4. melting point (ºc):152.5-153.5 °c

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

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flashpoint (ºc):196 °f

9. specific optical rotation (º): undetermined

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

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

12. saturated vapor pressure (kpa,60ºc3. isotonic ratio (90.2k): 479.1

4. surface tension (dyne/cm): 57.5

5. polarizability（10^-24 cm³):26.55

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

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 42.4

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 294

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 sealed and stored in a cool and dry place.

synthesis method

it is obtained from anthranilic acid through diazotization, condensation and ring closure. first mix anthranilic acid, hydrochloric acid, and sodium nitrite at 0-5℃carry out diazotization reaction to obtain a diazonium salt solution; then perform a condensation reaction with an alkali solution of p-chlorothiophenol, and acidify with hydrochloric acid to obtain4-chlorodiphenyl sulfide-2′carboxylic acid, mix it with concentrated sulfuric acid in60-70℃catalytic closed loop to obtain the finished product.

purpose

pharmaceutical intermediate, used in the synthesis of the tranquillizer telden (chlorprothixene,[113-59-7]).

ning: 0pt”>carry out diazotization reaction to obtain a diazonium salt solution; then perform a condensation reaction with an alkali solution of p-chlorothiophenol, and acidify with hydrochloric acid to obtain4-chlorodiphenyl sulfide-2′carboxylic acid, mix it with concentrated sulfuric acid60-70℃catalytic closed loop to obtain the finished product.

purpose

pharmaceutical intermediate, used in the synthesis of the tranquillizer telden (chlorprothixene,[113-59-7]).