4-HYDROXY-3-(TRIFLUOROMETHYL)BENZALDEHYDE Chemical Properties

Melting point:

159-163°C

Boiling point:

224.0±35.0 °C(Predicted)

Density 

1.429±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

form 

solid

pka

5.79±0.43(Predicted)

color 

Light brown

Sensitive 

Air Sensitive

CAS DataBase Reference

220227-98-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

22-36-43

Safety Statements 

26-36/37

WGK Germany 

3

Hazard Note 

Irritant

HS Code 

2913000090

4-HYDROXY-3-(TRIFLUOROMETHYL)BENZALDEHYDE Usage And Synthesis

Synthesis

Step 1: 2-Trifluoromethylphenol (5.0 g, 30.86 mmol) was dissolved in trifluoroacetic acid (50 mL) with hexamethylenetetetramine (8.64 g, 61.72 mmol) and the reaction was stirred at 65°C for 18 hours. After completion of the reaction, the reaction solution was concentrated and diluted with 2N aqueous hydrochloric acid. The acidic aqueous phase was extracted twice with ethyl acetate, and the organic phases were combined, dried with anhydrous magnesium sulfate, filtered and concentrated. The residue was purified by fast column chromatography (Biotage FLASH 40M, silica gel column, eluent: 20% ethyl acetate/hexane) to give 2.1 g of 4-hydroxy-3-(trifluoromethyl)benzaldehyde in 36% yield. Mass spectrum (electrospray ionization) m/z: 188.9; high resolution mass spectrum (calculated value C8H5F3O2, 190.0242; measured value [ESI, M+H]+, 191.0324).

References

[1] Patent: WO2005/37807, 2005, A1. Location in patent: Page/Page column 218-219

4-HYDROXY-3-(TRIFLUOROMETHYL)BENZALDEHYDE(220227-98-5)Related Product Information

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