4-Bromo-2-(trifluoromethyl)phenol Chemical Properties

Melting point:

83-85°

Boiling point:

203.4±35.0 °C(Predicted)

Density 

1.752±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

pka

7.41±0.43(Predicted)

form 

Crystalline Powder

color 

White

InChI

InChI=1S/C7H4BrF3O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H

InChIKey

PDPGERGWEOJVDC-UHFFFAOYSA-N

SMILES

C1(O)=CC=C(Br)C=C1C(F)(F)F

Safety Information

Hazard Codes 

T

HazardClass 

IRRITANT

HS Code 

2908190090

4-Bromo-2-(trifluoromethyl)phenol Usage And Synthesis

Chemical Properties

light yellow crystalline

Synthesis

General procedure for the synthesis of 4-bromo-2-trifluoromethylphenol from o-trifluoromethylphenol: o-trifluoromethylphenol (6.0 g, 37 mmol) was dissolved in trifluoroacetic acid (30 ml), then bromine (5.91 g, 37 mmol) was added slowly and dropwise at room temperature. The reaction mixture was stirred for 2 hours. After completion of the reaction, ethyl acetate (200 ml) was added for extraction. The organic phase was washed sequentially with brine (50 mL x 2), saturated sodium carbonate solution (50 mL x 2) and brine (50 ml), and then dried with anhydrous sodium sulfate. The organic phase was concentrated under reduced pressure to give 4-bromo-2-trifluoromethylphenol (gray solid, 8.9 g, yield: 100%).

References

[1] Patent: CN105732602, 2016, A. Location in patent: Paragraph 0094; 0096; 0097; 0098; 0099
[2] Journal of Medicinal Chemistry, 2014, vol. 57, # 5, p. 2107 - 2120
[3] Patent: WO2014/209034, 2014, A1. Location in patent: Paragraph 541; 542; 543
[4] Synthesis, 1999, # 11, p. 1878 - 1880
[5] Bulletin of the Chemical Society of Japan, 2004, vol. 77, # 12, p. 2257 - 2263

4-Bromo-2-(trifluoromethyl)phenol(50824-04-9)Related Product Information

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