ChemicalBook--->CAS DataBase List--->769-39-1

769-39-1

769-39-1 Structure

769-39-1 Structure
IdentificationMore
[Name]

2,3,5,6-Tetrafluorophenol
[CAS]

769-39-1
[Synonyms]

2,3,5,6-TETRAFLUOROPHENOL
Phenol, 2,3,5,6-tetrafluoro-
Tfp-OH
Tetrafluorophenolminwhitewaxysolid
2,3,5,6-Tetrafluorophenol, 97+%
2,3,5,6-Tetrafluorophenol,tech.
2,3,5,6-Tetrafluorophenol 98%
2,3,5,6-Tetrafluorophenol98%
Tfp-OH (Tetramethylfluoroformamidiniun hexafluorophosphate)
[EINECS(EC#)]

212-209-6
[Molecular Formula]

C6H2F4O
[MDL Number]

MFCD00002157
[Molecular Weight]

166.07
[MOL File]

769-39-1.mol
Chemical PropertiesBack Directory
[Appearance]

white solid
[Melting point ]

37-39 °C (lit.)
[Boiling point ]

140 °C (lit.)
[density ]

1.4445 (estimate)
[Fp ]

175 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

Crystalline Low Melting Solid
[pka]

5.46±0.20(Predicted)
[color ]

White
[Stability:]

Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents.
[Water Solubility ]

Partly miscible with water.
[BRN ]

1911548
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN3261
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29081990
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,3,5,6-Tetrafluorophenol(769-39-1).msds
Hazard InformationBack Directory
[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]

Guanidine hydrochloride

50-01-1

(E)-1-(perfluorophenyl)-3-phenylprop-2-en-1-one

54081-33-3

trans-Cinnamic acid

140-10-3

2,3,5,6-Tetrafluorophenol

769-39-1

2-amino-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one

6340-72-3

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
Spectrum DetailBack Directory
[Spectrum Detail]

2,3,5,6-Tetrafluorophenol(769-39-1)MS
2,3,5,6-Tetrafluorophenol(769-39-1)1HNMR
2,3,5,6-Tetrafluorophenol(769-39-1)13CNMR
2,3,5,6-Tetrafluorophenol(769-39-1)IR1
2,3,5,6-Tetrafluorophenol(769-39-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,3,5,6-Tetrafluorophenol, 98%(769-39-1)
[Alfa Aesar]

2,3,5,6-Tetrafluorophenol, 97%(769-39-1)
[Sigma Aldrich]

769-39-1(sigmaaldrich)
[TCI AMERICA]

2,3,5,6-Tetrafluorophenol,>98.0%(T)(769-39-1)
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