4-Bromo-2,6-difluorophenol Chemical Properties

Melting point:

50°C

Boiling point:

180.2±35.0 °C(Predicted)

Density 

1.858±0.06 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

pka

6.89±0.23(Predicted)

Appearance

Off-white to light yellow Solid

BRN 

8543473

InChI

InChI=1S/C6H3BrF2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

InChIKey

GPRPSJPFAAGLCA-UHFFFAOYSA-N

SMILES

C1(O)=C(F)C=C(Br)C=C1F

CAS DataBase Reference

104197-13-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-36/37/39

Hazard Note 

Harmful

HazardClass 

IRRITANT

HS Code 

2908190090

MSDS

• Language:English Provider:ALFA

4-Bromo-2,6-difluorophenol Usage And Synthesis

Chemical Properties

White crystalline

Synthesis

To a solution of 2,6-Difluorophenol (10.0 g, 76.86 mmol) in DMF (60 mL), N-bromosuccinimide (13.68 g, 76.86 mmol) was added at 0° C. and stirred at RT for 20 h. The reaction mixture was concentrated, diluted with water and extracted with ethyl acetate. The organic layer was dried over sodium sulphate and concentrated under reduced pressure to afford 4-Bromo-2,6-difluorophenol as a light yellow liquid (15.1 g, 93 percent yield). 1H-NMR (δ ppm, DMSO-D6, 400 MHz): δ 10.49 (s, 1H), 7.35 (d, J=6.2 Hz, 2H).

References

[1] Patent: US2011/118257, 2011, A1. Location in patent: Page/Page column 100
[2] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 3, p. 608 - 617
[3] Patent: WO2014/209034, 2014, A1. Location in patent: Paragraph 410; 411; 412
[4] Journal of Medicinal Chemistry, 2016, vol. 59, # 7, p. 3183 - 3203
[5] Patent: EP3239143, 2017, A2. Location in patent: Paragraph 0101

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