2,3,5,6-Tetrafluorophenol Chemical Properties

Melting point:

37-39 °C (lit.)

Boiling point:

140 °C (lit.)

Density 

1.4445 (estimate)

Flash point:

175 °F

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

pka

5.46±0.20(Predicted)

form 

Crystalline Low Melting Solid

color 

White

Water Solubility 

Partly miscible with water.

BRN 

1911548

Stability:

Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents.

InChI

InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

InChIKey

PBYIIRLNRCVTMQ-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

769-39-1(CAS DataBase Reference)

NIST Chemistry Reference

2,3,5,6-Tetrafluorophenol(769-39-1)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

RIDADR 

UN3261

WGK Germany 

3

Hazard Note 

Irritant

HazardClass 

8

PackingGroup 

III

HS Code 

29081990

MSDS

• Language:English Provider:2,3,5,6-Tetrafluorophenol
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

2,3,5,6-Tetrafluorophenol Usage And Synthesis

Chemical Properties

white solid

Uses

2,3,5,6-Tetrafluorophenol is a reagent in the preparation of polyfluorophenyl ester-terminated homobifunctional cross-linkers to be used in protein conjugation.

Synthesis

Chalcone 1d (1.0 g, 3.4 mmol) was added to a 10 mL DMF solution containing guanidine hydrochloride (0.64 g, 6.7 mmol) and sodium hydride (0.32 g, 13.4 mmol). The reaction mixture was stirred at 50 °C for 1.5 h before being cooled to room temperature and subsequently poured into ice water and extracted with ethyl acetate. Undissolved material at the phase boundary was removed by filtration, resulting in the isolation of 2-amino-6-phenyl-5,6-dihydropyrimidin-4(1H)-one (7a, 0.1 g, 16% yield). The 1H NMR data and melting point (255-257 °C; literature value 257.3 °C [19]) of this product were in agreement with those reported in the literature [19]. The extract was washed with water and dried with CaCl2 and concentrated under reduced pressure to remove the solvent, yielding 0.29 g of residue, which was analyzed by NMR and GC/MS.

References

[1] Russian Journal of Organic Chemistry, 2015, vol. 51, # 12, p. 1745 - 1752
[2] Zh. Org. Khim., 2015, vol. 51, # 12, p. 1778 - 1785,8

2,3,5,6-Tetrafluorophenol(769-39-1)Related Product Information

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