ChemicalBook Produktkatalog Reagenzien Entschwefler 1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)

1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) Struktur

1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)

Bezeichnung:1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)

CAS-Nr140681-55-6

Englisch Name:1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)

CBNumberCB1254109

SummenformelC7H14B2ClF9N2

Molgewicht354.26

MOL-Datei140681-55-6.mol

1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) physikalisch-chemischer Eigenschaften

Schmelzpunkt	260 °C(lit.)
Dichte	1.71 at 20℃
Dampfdruck	0.001Pa at 25℃
storage temp.	2-8°C
Löslichkeit	Acetonitrile (Slightly), DMSO (Slightly), Methanol (Very Slightly, Heated), Water
Aggregatzustand	Powder
Farbe	White
Wasserlöslichkeit	soluble
Sensitive	Moisture Sensitive
Merck	14,8425
BRN	5368649
InChIKey	ZQGDSZPGKPJABN-UHFFFAOYSA-N
LogP	-3.39 at 20℃
Oberflächenspannung	73.1mN/m at 1g/L and 19℃
CAS Datenbank	140681-55-6(CAS DataBase Reference)
EPA chemische Informationen	1,4-Diazoniabicyclo[2.2.2]octane, 1-(chloromethyl)-4-fluoro-, bis[tetrafluoroborate(1-)] (140681-55-6)

Sicherheit

Kennzeichnung gefährlicher	Xn,O,F,Xi
R-Sätze:	22-36/37/38-41-52/53-43
S-Sätze:	26-36/37/39-61-21
RIDADR	UN 3088 4.2/PG 2
WGK Germany	2
Hazard Note	Oxidising Agent
TSCA	T
HazardClass	8
PackingGroup	II
HS Code	29335990
Toxizität	LD50 in male rats: 640 mg/kg orally; >2 g/kg dermally (Banks, 1998)

Gefahreninformationscode (GHS)

1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R22:Gesundheitsschädlich beim Verschlucken.
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R41:Gefahr ernster Augenschäden.
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.
Beschreibung
1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)(Selectfluor) is a white solid (mp 190 °C), stable in air and to moisture. It is a dicationic salt soluble in cold water or dilute hydrochloric acid. However, it decomposes in dilute sodium hydroxide and reacts with cold DMSO (rapidly and exothermally) and with DMF (slowly on heating). It is moderately soluble in acetonitrile but only slightly soluble in lower alcohols and acetone, which makes the former the solvent of choice. Occasionally, reactions in these solvents were accelerated by adding a small amount of water or trifluoroacetic acid. Bulk quantities of Selectfluor should be stored in a cool, dry place and not heated above 80 °C. Fainzil’berg et al. have measured the reduction potentials of Selectfluor and other N-F compounds. With a positive reduction potential, E1/2 ) 0.33 V, Selectfluor is predicted to be a more reactive fluorinating reagent than, e.g., N-fluorobenzenesulfonimide, with E1/2 ) -1.24 V[1].
Chemische Eigenschaften
White powder
Verwenden
Effective electrophilic fluorinating reagent for a wide variety of substrates such as aromatics, alkenes, carbohydrates, etc.
Verwenden
Mild, versatile fluorinating reagent used in pharmaceutical and agricultural applications.
Allgemeine Beschreibung
This product is a fluorine donor also called Selectfluor and has been enhanced for catalysis.
Toxikologie
1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (F-TEDA-BF4) is moderately toxic (male rat oral LD50 640 mg kg?1; female rat 350–500 mg kg?1), and is an irritant to the eye and respiratory system. Always use approved dust mask (or respirator), gloves, and safety glasses when handling the solid. Carry out solubility tests on a sensible scale when seeking alternative solvents (note the problem with DMSO referred to above).
Advantages
As the advantages of non-toxicity, non-corrosion and chemical stability, 1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) have been widely used in industry and public life.
Einzelnachweise
[1] Rajendra P. Singh, Jean’ne M. Shreeve. “Recent Highlights in Electrophilic Fluorination with 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane Bis(tetrafluoroborate).” ChemInform 35 16 (2004).

1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) Upstream-Materialien And Downstream Produkte

1-ChloroMethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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