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HomeProduct name list4-Hydroxythiobenzamide

4-Hydroxythiobenzamide

  • CAS NO.:25984-63-8
  • Empirical Formula: C7H7NOS
  • Molecular Weight: 153.2
  • MDL number: MFCD04973332
  • EINECS: 674-712-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-12-16 18:36:03
4-Hydroxythiobenzamide Structural

What is 4-Hydroxythiobenzamide?

Chemical properties

4-Hydroxythiobenzamide has an appearance ranging from light orange to yellow to green, powder to crystalline, melting point 192 °C, soluble in methanol.

The Uses of 4-Hydroxythiobenzamide

4-Hydroxythiobenzamide is used in the synthesis of PPARα agonists used in increasing HDLc levels. Also used in the synthesis of potent CDK5 inhibitors in the treatment of Alzheimer’s disease.

The Uses of 4-Hydroxythiobenzamide

febuxostat intermediate

Synthesis

4-Hydroxythiobenzamide is an important intermediate of Febuxostat, a new anti-gout drug. A patent discloses a method for preparing p-hydroxythiobenzamide. Specifically, a certain amount of water, p-cyanophenol, sodium hydrosulfide, and secondary amine are mixed evenly. At a specific temperature, an organic weak acid is added dropwise. After the reaction is completed, the mixture is filtered, and the filter cake is dried to obtain 4-Hydroxythiobenzamide.
4-HYDROXYTHIOBENZAMIDE

Properties of 4-Hydroxythiobenzamide

Melting point: 181-185℃
Boiling point: 320.4±44.0 °C(Predicted)
Density  1.338±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 9.24±0.26(Predicted)
color  Light Yellow
InChI InChI=1S/C7H7NOS/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
CAS DataBase Reference 25984-63-8(CAS DataBase Reference)

Safety information for 4-Hydroxythiobenzamide

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 4-Hydroxythiobenzamide

InChIKey VDTNKXSVUGXUOJ-UHFFFAOYSA-N
SMILES C1(C(N)=S)=CC=C(O)C=C1

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