2-Fluoro-5-bromobenzotrifluoride

Bezeichnung:2-Fluoro-5-bromobenzotrifluoride

CAS-Nr393-37-3

Englisch Name:2-Fluoro-5-bromobenzotrifluoride

CBNumberCB0393984

SummenformelC7H3BrF4

Molgewicht243

MOL-Datei393-37-3.mol

2-Fluoro-5-bromobenzotrifluoride physikalisch-chemischer Eigenschaften

Schmelzpunkt	203 °C(Solv: hexane (110-54-3))
Siedepunkt	79-80 °C/50 mmHg (lit.)
Dichte	1.72 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.462(lit.)
Flammpunkt	>230 °F
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand	Liquid
Farbe	Clear colorless to pale yellow
Wichte	1.720
Wasserlöslichkeit	Soluble in water 700 g/L (20°C)
BRN	2643550
InChI	InChI=1S/C7H3BrF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChIKey	AJLIJYGWAXPEOK-UHFFFAOYSA-N
SMILES	C1(F)=CC=C(Br)C=C1C(F)(F)F
CAS Datenbank	393-37-3(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi,Xn
R-Sätze:	36/37/38-20/21/22
S-Sätze:	23-24/25-36-26-37
WGK Germany	3
HazardClass	IRRITANT
HS Code	29039990
Speicherklasse	10 - Combustible liquids

Gefahreninformationscode (GHS)

2-Fluoro-5-bromobenzotrifluoride Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R20/21/22:Gesundheitsschädlich beim Einatmen,Verschlucken und Berührung mit der Haut.
S-Sätze Betriebsanweisung:
S23:Gas/Rauch/Dampf/Aerosol nicht einatmen(geeignete Bezeichnung(en) vom Hersteller anzugeben).
S24/25:Berührung mit den Augen und der Haut vermeiden.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
Chemische Eigenschaften
Colorless liquid
Verwenden
5-Bromo-2-fluorobenzotrifluoride may be used in the preparation of:
- 3,5-bis(4-fluoro-3-trifluoromethylphenyl)phenol
- 9,9-bis(2-ethylhexyl)-2,7-bis[4-fluoro-3-trifluoromethylphenyl]-9H-fluorene
- 3-trifluoromethyl-4-fluoro phenyl boronic acid
Verwenden
Pharmaceutical Intermediates.
Synthesis Reference(s)
Journal of the American Chemical Society, 69, p. 2022, 1947 DOI: 10.1021/ja01200a060
Allgemeine Beschreibung
5-Bromo-2-fluorobenzotrifluoride is commonly used in the preparation poly(arylene ether)s (PAEs).
Synthese

392-85-8

393-37-3

The general procedure for synthesizing 2-fluoro-5-bromobenzotrifluoride from 2-fluorobenzotrifluoride was as follows: referring to Example 4, 400 g of concentrated sulfuric acid, 400 g of 2-fluorobenzotrifluoride, 20 g of lithium bromide, 20 g of ferric bromide, 20 g of tetrabutylammonium bromide, and 273.17 g of bromine were added to a 2000 mL three-necked flask, in sequence. The reaction temperature was controlled to be between 35-45°C. Samples were taken after 6 hours of reaction and showed 0.36% of raw material remaining by gas chromatography (GC). The reaction mixture was cooled to below 30 °C, transferred to a 2000 mL dispensing funnel and allowed to stand for 1 h to separate the acid layer. The crude product was transferred to a 2000 mL flask and 1000 g of water was added under stirring and the pH was adjusted to 7 by adding 10% sodium hydroxide solution dropwise to give 550.3 g of 2-fluoro-5-bromobenzotrifluoride crude oil in 92.84% yield. The crude oil was distilled under reduced pressure to obtain 517.18 g of pure product with a yield of 93.98% and a product purity of 95.9%.
Einzelnachweise
[1] Patent: CN105152853, 2017, B. Location in patent: Paragraph 0029

2-Fluoro-5-bromobenzotrifluoride Upstream-Materialien And Downstream Produkte

2-Fluoro-5-bromobenzotrifluoride Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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