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]).