3-Chloro-2,4,5,6-tetrafluoropyridine Chemical Properties

Boiling point:

118-121 °C (lit.)

Density 

1.609 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.436(lit.)

Flash point:

>230 °F

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

form 

clear liquid

pka

-11.94±0.28(Predicted)

color 

Colorless to Almost colorless

Specific Gravity

1.641

BRN 

475873

InChI

InChI=1S/C5ClF4N/c6-1-2(7)3(8)5(10)11-4(1)9

InChIKey

UXUZMYHSICIOQT-UHFFFAOYSA-N

SMILES

C1(F)=NC(F)=C(F)C(F)=C1Cl

CAS DataBase Reference

1735-84-8(CAS DataBase Reference)

NIST Chemistry Reference

Pyridine, 3-chloro-2,4,5,6-tetrafluoro-(1735-84-8)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-22

Safety Statements 

26-36-37/39

WGK Germany 

3

Hazard Note 

Irritant

HazardClass 

8

HS Code 

29333990

Storage Class

11 - Combustible Solids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

3-Chloro-2,4,5,6-tetrafluoropyridine Usage And Synthesis

Uses

3-Chloro-2,4,5,6-Tetrafluoropyridine is an organic intermediate.

Chemical Properties

CLEAR COLOURLESS LIQUID

Uses

3-Chloro-2,4,5,6-tetrafluoropyridine (3-chlorotetrafluoropyridine) is a fluoropyridine derivative. Its quantum mechanical calculations of energies, geometries and vibrational wave numbers have been performed by DFT level of theory. The interpretation of its FT-IR and FT-Raman spectra have been reported. It forms corresponding organo-zinc compound by reacting with zinc. 3-Chlorotetrafluoropyridine reacts with tris(diethylamino)phosphine (P(NEt)₃) in the presence of a proton donor to form product with fluorine replaced by hydrogen at position 4.

General Description

3-Chloro-2,4,5,6-tetrafluoropyridine (3-chlorotetrafluoropyridine) is a fluoropyridine derivative. Its quantum mechanical calculations of energies, geometries and vibrational wave numbers have been performed by DFT level of theory. The interpretation of its FT-IR and FT-Raman spectra have been reported. It forms corresponding organo-zinc compound by reacting with zinc. 3-Chlorotetrafluoropyridine reacts with tris(diethylamino)phosphine (P(NEt)₃) in the presence of a proton donor to form product with fluorine replaced by hydrogen at position 4.

Synthesis

3-Chloro-2,4,5,6-tetrafluoropyridine can be prepared from 3,5-dichloro-2,4,6-trifluoropyridine.

70g of 3,5-dichloro-2,4,6-trifluoropyridine, 22g of anhydrous potassium fluoride were mixed with 150mL of cyclobutanesulfone, and the reaction was stirred at 180??C for 2.5h, lowered to room temperature, and samples were taken to monitor the complete conversion of the raw materials, and the reaction solution was decanted into 1L of ice water, and extracted with dichloromethane. The organic phase was washed with water and saturated sodium chloride solution in turn, dried with anhydrous sodium sulfate, concentrated under reduced pressure, the crude product obtained was purified by distillation to obtain 46.5g of colorless liquid, 3-chloro-2,4,5,6-tetrafluoropyridine, GC content of 98.3%, yield 72%.

3-Chloro-2,4,5,6-tetrafluoropyridine(1735-84-8)Related Product Information

• Clopidol
• 2,3,5,6-Tetrafluoropyridine
• 2-Chloro-5-chloromethylpyridine
• 2,4,6-TRIFLUOROPYRIDINE
• 4-Fluoropyridine hydrochloride
• 4-Chloro-3-fluoropyridine
• 2,6-Difluoropyridine
• Difluorochloromethane
• Pyridine hydrofluoride
• 2,4,5-Trifluoropyridine
• 5-Chloro-2-fluoropyridine
• 4-Fluoropyridine
• 2,3,4,6-TETRAFLUOROPYRIDINE
• 3-Chloropyridine
• 2,3,6-TRIFLUOROPYRIDINE
• 2-Fluoropyridine
• 3-Chloro-2,6-difluoropyridine
• 3-Chloro-2,4-difluoropyridine