α,α,α,2-Tetrafluortoluol

Bezeichnung:α,α,α,2-Tetrafluortoluol

CAS-Nr392-85-8

Englisch Name:2-Fluorobenzotrifluoride

CBNumberCB1313699

SummenformelC7H4F4

Molgewicht164.1

MOL-Datei392-85-8.mol

Synonyma

α,α,α,2-Tetrafluortoluol

α,α,α,2-Tetrafluortoluol physikalisch-chemischer Eigenschaften

Schmelzpunkt	-49°C
Siedepunkt	114-115 °C750 mm Hg(lit.)
Dichte	1.293 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.406(lit.)
Flammpunkt	64 °F
storage temp.	Sealed in dry,2-8°C
Aggregatzustand	clear liquid
Farbe	Colorless to Light yellow to Light orange
Wichte	1.31
BRN	2046638
InChI	InChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey	BGVGHYOIWIALFF-UHFFFAOYSA-N
SMILES	C1(F)=CC=CC=C1C(F)(F)F
CAS Datenbank	392-85-8(CAS DataBase Reference)
NIST chemische Informationen	Benzene, 1-fluoro-2-(trifluoromethyl)-(392-85-8)
EPA chemische Informationen	Benzene, 1-fluoro-2-(trifluoromethyl)- (392-85-8)

Sicherheit

Kennzeichnung gefährlicher	F,Xi
R-Sätze:	11-36/37/38
S-Sätze:	16-26-33-24/25-7/9
RIDADR	UN 1993 3/PG 2
WGK Germany	3
Hazard Note	Flammable/Irritant
TSCA	TSCA listed
HazardClass	3
PackingGroup	II
HS Code	29039990
Speicherklasse	3 - Flammable liquids
Hazard Classifications	Eye Irrit. 2 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

2-Fluorobenzotrifluoride Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R11:Leichtentzündlich.
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S16:Von Zündquellen fernhalten - Nicht rauchen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S33:Maßnahmen gegen elektrostatische Aufladungen treffen.
S24/25:Berührung mit den Augen und der Haut vermeiden.
S7/9:Behälter dicht geschlossen an einem gut gelüfteten Ort aufbewahren.
Chemische Eigenschaften
clear colorless liquid
Verwenden
2-Fluorobenzotrifluoride was used in the synthesis of 2,2′-bis(trifluoromethylphenoxy)biphenyl via nucleophilic aromatic substitution reaction with 2,2′-biphenol.
Synthese

98-08-8

402-44-8

401-80-9

392-85-8

393-38-4

General procedure: In a FEP or PFA reactor equipped with a PTFE-lined magnetic stirring bar and connected to a gas scrubber bottle, substituted benzene (0.95-1.10 mmol), 1,1,1,3,3-pentafluorobutane (2 ml per ml C6H5R), and BF3-Et2O (1.3-1.5 mmol per mmol C6H5R) were added. The mixture was stirred at 0-5 °C (ice bath) for 10-15 min, followed by batchwise addition of XeF2 (1.2-1.3 mmol per mmol C6H5R). After each addition, the mixture was stirred at 22-25 °C for 3-5 min and cooled again. After the addition was completed, the dark solution was continued to be stirred at 22-25 °C for 15-30 min. Subsequently, 10% aqueous KHCO3 solution was added and the upper organic layer was separated and filtered through a short column equipped with silica gel (40-60 μm) and finally dried with magnesium sulfate. The solution was analyzed by 19F NMR and GC/MS. The major products are listed in the table and other products are as follows (GC/MS data).
Einzelnachweise
[1] Russian Journal of Organic Chemistry, 2016, vol. 52, # 10, p. 1400 - 1407
[2] Zh. Org. Khim., 2016, vol. 52, # 10, p. 1412 - 1419,8

2-Fluorobenzotrifluoride Upstream-Materialien And Downstream Produkte

α,α,α,2-Tetrafluortoluol Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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