ChemicalBook CAS DataBase List 140681-55-6

140681-55-6

Name	1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)
CAS	140681-55-6
EINECS(EC#)	414-380-4
Molecular Formula	C7H14B2ClF9N2
MDL Number	MFCD00142607
Molecular Weight	354.26
MOL File	140681-55-6.mol

Synonyms

1-CHLOROMETHYL-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS(TETRAFLUOROBORATE) N-CHLOROMETHYL-N'-FLUOROTRIETHYLENEDIAMMONIUM BIS (TETRAFLUOROBORATE) N-FLUORO-N'-(CHLOROMETHYL)TRIETHYLENEDIAMINE BIS(TETRAFLUOROBORATE) SELECTFLUOR F-TEDA-BF4 SELECTFLUOR(R) REAGENT SELECTFLUOR(TM) FLUORINATING REAGENT 4-diazoniabicyclo[2.2.2]octane,1-(chloromethyl)-4-fluoro-bis[tetrafluorobo 4-diazoniabicyclo[2.2.2]octane,1-(chloromethyl)-4-fluoro-bis[tetrafluoroborate(1-)] rate(1-)] 1-chlorome.-4-fluoro-1,4-diazoniabicyclo octane bis(bf4) F-TEDA-BF_4~SELECTFLUOR(rg Fluorinating selectfluor fluorinating Selectfluor 1-CHLOROME.-4-FLUORO-1,4-DIAZONIABICYCLO SELECTFLUOR FLUORINATING REAGENT, >95% F + ACTIVE N-Fluoro-N'-chloromethyltriethylenediaminebis(tetrafluoroborate)(SELECTFLUORTM) 1,4-Diazoniabicyclo2.2.2octane, 1-(chloromethyl)-4-fluoro-, bistetrafluoroborate(1-) f-teda-bf_4 selectfluor fluorinating reagent 4-(chloromethyl)-1-fluoro-1,4-diazoniabicyclo[2,2,2]octane

Chemical Properties

Appearance	White powder
Melting point	260 °C(lit.)
density	1.71 at 20℃
vapor pressure	0.001Pa at 25℃
storage temp.	2-8°C
solubility	Acetonitrile (Slightly), DMSO (Slightly), Methanol (Very Slightly, Heated), Water
form	Powder
color	White
Water Solubility	soluble
Sensitive	Moisture Sensitive
Merck	8425
BRN	5368649
InChI	1S/C7H14ClFN2.2BF4/c8-7-10-1-4-11(9,5-2-10)6-3-10;22-1(3,4)5/h1-7H2;;/q+2;2-1
InChIKey	ZQGDSZPGKPJABN-UHFFFAOYSA-N
SMILES	F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2
LogP	-3.39 at 20℃
Surface tension	73.1mN/m at 1g/L and 19℃
CAS DataBase Reference	140681-55-6(CAS DataBase Reference)
EPA Substance Registry System	140681-55-6(EPA Substance)

Safety Data

Symbol(GHS)	GHS05,GHS07
Signal word	Danger
Hazard statements	H302-H317-H318-H412
Precautionary statements	P261-P273-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes	Xn,O,F,Xi
Risk Statements	R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin . R41:Risk of serious damage to eyes. less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . less more
RIDADR	UN 3088 4.2/PG 2
WGK Germany	2
Hazard Note	Oxidising Agent
TSCA	T
REACH Registrations	Active
HazardClass	8
PackingGroup	II
HS Code	29335990
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral Aquatic Chronic 3 Eye Dam. 1 Skin Sens. 1
Toxicity	LD50 in male rats: 640 mg/kg orally; >2 g/kg dermally (Banks, 1998) less more

Hazard Information

Description

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].

Chemical Properties

White powder

Uses

A highly effective and versatile source of electrophilic fluorine.

Uses

Effective electrophilic fluorinating reagent for a wide variety of substrates such as aromatics, alkenes, carbohydrates, etc.

Uses

Mild, versatile fluorinating reagent used in pharmaceutical and agricultural applications.

General Description

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product is a fluorine donor also called Selectfluor and has been enhanced for catalysis. Find details here.

reaction suitability

reagent type: catalyst
reagent type: oxidant
reaction type: C-H Activation

Toxicology

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.

References

[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).

Material Safety Data Sheet(MSDS)

Questions And Answer

Spectrum Detail

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140681-55-6

Chemical Properties

Safety Data

Hazard Information

Description

Chemical Properties

Uses

Uses

Uses

General Description

reaction suitability

Toxicology

Advantages

References

Material Safety Data Sheet(MSDS)

Questions And Answer

Tetrafluoroborate

Reaction

Main Usage

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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