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

Bezeichnung:3-Chloro-2,4,5,6-tetrafluoropyridine

CAS-Nr1735-84-8

Englisch Name:3-Chloro-2,4,5,6-tetrafluoropyridine

CBNumberCB2192291

SummenformelC5ClF4N

Molgewicht185.51

MOL-Datei1735-84-8.mol

3-Chloro-2,4,5,6-tetrafluoropyridine physikalisch-chemischer Eigenschaften

Siedepunkt	118-121 °C (lit.)
Dichte	1.609 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.436(lit.)
Flammpunkt	>230 °F
storage temp.	under inert gas (nitrogen or Argon) at 2-8°C
pka	-11.94±0.28(Predicted)
Aggregatzustand	clear liquid
Farbe	Colorless to Almost colorless
Wichte	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 Datenbank	1735-84-8(CAS DataBase Reference)
NIST chemische Informationen	Pyridine, 3-chloro-2,4,5,6-tetrafluoro-(1735-84-8)

Sicherheit

Kennzeichnung gefährlicher	Xi,Xn
R-Sätze:	36/37/38-22
S-Sätze:	26-36-37/39
WGK Germany	3
Hazard Note	Irritant
HazardClass	8
HS Code	29333990
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

3-Chloro-2,4,5,6-tetrafluoropyridine Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R22:Gesundheitsschädlich beim Verschlucken.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
CLEAR COLOURLESS LIQUID
Verwenden
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.
Allgemeine Beschreibung
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.
Synthese

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 180C 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%.

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