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4-Bromo-2-(trifluoromethyl)phenol

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4-Bromo-2-(trifluoromethyl)phenol manufacturers

4-Bromo-2-(trifluoromethyl)phenol Basic information
Product Name:4-Bromo-2-(trifluoromethyl)phenol
Synonyms:4-BroMo-2-(trifluoroMethyl)phenol4;4-Bromo-2-(trifluoromethyl)phenol, 4-Bromo-alpha,alpha,alpha-trifluoro-o-cresol;4-broMo -2-three fluorineMethyl phenol;5-Bromo-2-hydroxybenzotrifluoride 99%;4-BROMO-2-(TRIFLUOROMETHYL)BENZENOL;4-BROMO-2-(TRIFLUOROMETHYL)PHENOL;5-Bromo-2-hydroxyBenzotrifluoride;4-Beromo-2-(trifluoromethyl)benzenol
CAS:50824-04-9
MF:C7H4BrF3O
MW:241.01
EINECS:642-593-4
Product Categories:Aromatic Phenols;Phenyls & Phenyl-Het;Phenyls & Phenyl-He
Mol File:50824-04-9.mol
4-Bromo-2-(trifluoromethyl)phenol Structure
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
pka7.41±0.43(Predicted)
form Crystalline Powder
color White
InChIInChI=1S/C7H4BrF3O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
InChIKeyPDPGERGWEOJVDC-UHFFFAOYSA-N
SMILESC1(O)=CC=C(Br)C=C1C(F)(F)F
Safety Information
Hazard Codes T
WGK Germany WGK 3
HazardClass IRRITANT
HS Code 2908190090
Storage Class11 - Combustible Solids
Hazard ClassificationsAcute Tox. 4 Oral
MSDS Information
4-Bromo-2-(trifluoromethyl)phenol Usage And Synthesis
Chemical Propertieslight yellow crystalline
Synthesis
alpha,alpha,alpha-Trifluoro-o-cresol

444-30-4

4-Bromo-2-(trifluoromethyl)phenol

50824-04-9

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 Preparation Products And Raw materials
Raw materialsalpha,alpha,alpha-Trifluoro-o-cresol
Preparation Products2-Hydroxy-3-(trifluoromethyl)benzoic acid
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