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323659

Sigma-Aldrich

1-Fluoropyridinium triflate

99%

Synonym(s):

1-Fluoropyridinium trifluoromethanesulfonate

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About This Item

Empirical Formula (Hill Notation):
C6H5F4NO3S
CAS Number:
107263-95-6
Molecular Weight:
247.17
Beilstein:
4222821
MDL number:
MFCD00013458
UNSPSC Code:
12352101
PubChem Substance ID:
24859409
NACRES:
NA.22

Quality Level

100

Assay

99%

form

solid

mp

185-186 °C (lit.)

functional group

fluoro
triflate

SMILES string

F[n+]1ccccc1.[O-]S(=O)(=O)C(F)(F)F

InChI

1S/C5H5FN.CHF3O3S/c6-7-4-2-1-3-5-7;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)/q+1;/p-1

InChI key

JFZMMCYRTJBQQI-UHFFFAOYSA-M

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Application

Reactant for:
  • Pd-catalyzed arylation reactions
  • Preparation of small molecule botulinum neurotoxin A endopeptidase inhibitors
  • Fluorination agent
General purpose electrophilic fluorinating reagent.

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1A

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCG2330
MKBR3962V
MKBH0151V
MKBG8368V
MKBF2150V

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Aldrichimica Acta, 28, 36-36 (1995)
Development of GSKDevelopment of GSK's reagent guides ? embedding sustainability into reagent selections reagent guides ? embedding sustainability into reagent selection.
Adams JP, et al.
Green Chemistry, 15, 1542-1549 (2013)

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