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140681-68-1

140681-68-1

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  • 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(trifluoromethanesulfonate),

    Cas No: 140681-68-1

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  • 1-CHLOROMETHYL-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS(TRIFLUOROMETHANESULFONATE)

    Cas No: 140681-68-1

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140681-68-1 Usage

General Description

1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(trifluoromethanesulfonate) is a chemical compound with the molecular formula C7H10ClF4N2O6S2. It is a diazonium salt derivative and bis(trifluoromethanesulfonate) anion. 1-CHLOROMETHYL-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS(TRIFLUOROMETHANESULFONATE) is used in organic synthesis as a reagent for the functionalization of aromatic compounds, such as the introduction of fluorine or chlorine atoms. It is also used in the synthesis of pharmaceuticals and agrochemicals. Additionally, it has antimicrobial properties and can be used as a biocide in industrial applications. The trifluoromethanesulfonate anion in the compound enhances solubility and stability, making it a versatile reagent in various chemical reactions.

Check Digit Verification of cas no

The CAS Registry Mumber 140681-68-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,4,0,6,8 and 1 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 140681-68:
(8*1)+(7*4)+(6*0)+(5*6)+(4*8)+(3*1)+(2*6)+(1*8)=121
121 % 10 = 1
So 140681-68-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H14ClFN2.2CHF3O3S/c8-7-10-1-4-11(9,5-2-10)6-3-10;2*2-1(3,4)8(5,6)7/h1-7H2;2*(H,5,6,7)/q+2;;/p-2

140681-68-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-CHLOROMETHYL-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS(TRIFLUOROMETHANESULFONATE)

1.2 Other means of identification

Product number -
Other names 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo<2.2.2>octane ditriflate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:140681-68-1 SDS

140681-68-1Relevant articles and documents

Radiosynthesis and evaluation of [18F]Selectfluor bis(triflate)

Teare, Harriet,Robins, Edward G.,Kirjavainen, Anna,Forsback, Sarita,Sandford, Graham,Solin, Olof,Luthra, Sajinder K.,Gouverneur, Veronique

, p. 6821 - 6824 (2010)

(Figure Presented) Selectfluor, one of the most reactive and commonly used electrophilic fluorinating N-F reagents, has been radiolabeled with 18F. The resulting new [18F]-labeled N-F reagent is safe, nontoxic, and easy to handle. The combined use of [18F]Selectfluor bis(triflate) and AgOTf allows for the preparation of electron-rich 18F-aromatic compounds through a simple "shake and mix" protocol at room temperature (see scheme; SA=specific activtiy).

N-halogeno compounds. Part 18. 1-Alkyl-4-fluoro-1,4-diazoniabicyclo [2.2.2] octane salts: User-friendly site-selective electrophilic fluorinating agents of the N-fluoroammonium class

Banks, R. Eric,Besheesh, Mohamed K.,Mohialdin-Khaffaf, Suad N.,Sharif, Iqbal

, p. 2069 - 2076 (2007/10/03)

Methods of synthesis are described for a range of 1-alkyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane salts [R-N+(CH2CH2)3N+-F (X-)2, where R = CH3, CH2Cl, C2H5, CF3CH2, C8H17 and (X-)2 = (TfO-)2, (BF4-)2, (PF6-)2, (TfO-, BF4-), (TfO-, PF6-), (TfO-, FSO3-)] by direct fluorination (with neat F2 at ≤20 mmHg or F2-N2 blends at 1 atm pressure) of monoquaternary salts of 1,4-diazabicyclo[2.2.2]octane [R-+N(CH2CH2)3N X-] or their 1:1 adducts with boron trifluoride, phosphorus pentafluoride, or sulfur trioxide in acetonitrile at ca - 35°C. The results of site-selective electrophilic fluorination of diethyl sodio(phenyl)malonate [→ PhCF(CO2Et)2], 1-morpholinocyclohexene (→ 2-fluorocyclohexanone), phenol (→ 2- and 4-FC6H4OH), 1- and 2-hydroxynaphthalene (→ 2- and 4-FC10H6OH, and 1-FC10H6OH and 1,1-difluoro-2-oxo-1,2-dihydronaphthalene, respectively), acetanilide (→ 2- and 4-FC6H4NHCOCH3), anisole (→ 2- and 4-FC6H4OCH3) and sodium benzenesulfinate (→ PhSO2F) with these N-fluoroammonium salts are presented.

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