3-Bromo-5-fluorobenzonitrile

Bezeichnung:3-Bromo-5-fluorobenzonitrile

CAS-Nr179898-34-1

Englisch Name:3-Bromo-5-fluorobenzonitrile

CBNumberCB3184567

SummenformelC7H3BrFN

Molgewicht200.01

MOL-Datei179898-34-1.mol

3-Bromo-5-fluorobenzonitrile physikalisch-chemischer Eigenschaften

Schmelzpunkt	43 °C
Siedepunkt	218.7±20.0 °C(Predicted)
Dichte	1.69±0.1 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to lump
Farbe	White to Almost white
CAS Datenbank	179898-34-1(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	T,Xi,Xn
R-Sätze:	20/21/22-36/37/38-36-22
S-Sätze:	26-36/37/39
RIDADR	3439
Hazard Note	Toxic
HazardClass	6.1
PackingGroup	III
HS Code	2926907090

Gefahreninformationscode (GHS)

3-Bromo-5-fluorobenzonitrile Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R20/21/22:Gesundheitsschädlich beim Einatmen,Verschlucken und Berührung mit der Haut.
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
off-white crystalline
Verwenden
3-Bromo-5-fluorobenzonitrile is a compound of benzonitrile containing bromine and fluorine atoms, which is mainly used as an intermediate component in organic synthesis.
Synthese
3-Bromo-5-fluorobenzonitrile is synthesised using 1,3-dibromo-5-fluorobenzene as a raw material by chemical reaction. The specific synthesis steps are as follows:
A 250-mL round-bottom flask equipped with a magnetic stir bar was charged with 1,3-dibromo-5-fluorobenzene (7.70 g, 30.3 mmol), DMF (45 mL), pyridine (4.9 mL), and copper (I) cyanide (2.72 g, 30.3 mmol) under nitrogen. A reflux condenser was attached to the flask. The green, cloudy mixture was stirred at reflux for 3 h. Once lower Rf impurities were observed, the reaction was allowed to cool to room temperature. The reaction was quenched with 30 mL of ether, and a precipitate formed in the dark solution. The precipitate was gravity-filtered though Celite. The filtrate was rinsed three times with ether (100 mL/50 g bromide). The isolated solution was added to a separatory funnel. The organic layer was washed with a 2:1 mixture of water and concentrated ammonium hydroxide (30 mL), followed by saturated ammonium chloride solution (2*30 mL) and saturated sodium bicarbonate (30 mL). The aqueous layers were extracted with ether (3*40 mL). The organic layers were combined and dried over anhydrous sodium sulfate. The product was purified by flash column chomatography to yield 3-bromo-5-fluorobenzonitrile (2.10 g, 35percent). 1H NMR (400 MHz, CDCl3) δ 7.62 (s, 1H), 7.54-7.50 (m, 1H), 7.35-7.32 (m, 1H).

3-Bromo-5-fluorobenzonitrile Upstream-Materialien And Downstream Produkte

3-Bromo-5-fluorobenzonitrile Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

179898-34-1, 3-Bromo-5-fluorobenzonitrile Verwandte Suche:

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