N-Fluoropyridinium triflate

C₆H₅F₄NO₃SCAS 107263-95-6247.16 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonic acid

Properties

Molecular formula: C₆H₅F₄NO₃S
Molar mass: 247.16 g/mol
Exact mass: 246.9926 Da
Melting point: 185–187 °C
logP: 0.76Crippen estimate
Polar surface area: 61.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage91.3% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

107263-95-6

SMILES

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

InChIKey

JFZMMCYRTJBQQI-UHFFFAOYSA-M

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

Pyridinium, 1-fluoro-, 1,1,1-trifluoromethanesulfonate (1:1)
Pyridinium, 1-fluoro-, salt with trifluoromethanesulfonic acid (1:1)
Methanesulfonic acid, trifluoro-, ion(1-), 1-fluoropyridinium
1-Fluoropyridinium triflate
FP-T 500
N-Fluoropyridinium trifluoromethanesulfonate
Florinate FP-T 500
1-Fluoropyridinium salt with trifluoromethanesulfonic acid (1:1)

Reactions

N-FLUOROPYRIDINIUM TRIFLATE: AN ELECTROPHILIC FLUORINATING AGENT (Pyridinium, 1-fluoro-, salt with trifluoromethanesulfonic acid (1:1))product

Work with N-Fluoropyridinium triflate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lutetium(III) trifluoromethanesulfonate126857-69-052 % similar Indium(III) trifluoromethanesulfonate128008-30-052 % similar Erbium triflate139177-64-352 % similar Scandium(III) trifluoromethanesulfonate144026-79-952 % similar Barium bis(trifluoromethanesulfonate)2794-60-752 % similar Silver trifluoromethanesulfonate2923-28-652 % similar Potassium trifluoromethanesulfonate2926-27-452 % similar Lithium triflate33454-82-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia