2,6-Dichloro-1-fluoropyridinium triflate

C6H3Cl2F4NO3SCAS 130433-68-0316.05 g/mol

Open in Covalent MOL file
N+ClFClFFFSOOO−
Alkyl halideAryl halideSulfonic acid

Properties

Molecular formula
C6H3Cl2F4NO3S
Molar mass
316.05 g/mol
Exact mass
314.9147 Da
logP
2.06Crippen estimate
Polar surface area
61.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
130433-68-0
SMILES
C1=CC(=[N+](C(=C1)Cl)F)Cl.C(F)(F)(F)S(=O)(=O)[O-]
InChIKey
KDFRVNARKRKXQQ-UHFFFAOYSA-M
InChI
InChI=1S/C5H3Cl2FN.CHF3O3S/c6-4-2-1-3-5(7)9(4)8;2-1(3,4)8(5,6)7/h1-3H;(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

1 names
  • 1-Fluoro-2,6-dichloropyridinium Triflate

Work with 2,6-Dichloro-1-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Triflic acid1493-13-6Free acid Lithium triflate33454-82-9Salt Zinc triflate54010-75-2Salt Copper(II) triflate34946-82-2Salt Silver trifluoromethanesulfonate2923-28-6Salt Scandium(III) trifluoromethanesulfonate144026-79-9Salt N-Fluoropyridinium triflate107263-95-6Salt 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-2Salt 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt Triphenylsulfonium triflate66003-78-9Salt Yttrium triflate52093-30-8Salt Diphenyliodonium triflate66003-76-7Salt

Similar compounds

Hafnium(IV) trifluoromethanesulfonate161337-67-345 % similar Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate99326-34-838 % similar Bis(trifluoromethanesulfonyl)aniline37595-74-733 % similar 3-((Trifluoromethyl)sulfonyl)aniline426-59-532 % similar 2,6-Dichloropyridine N-oxide2587-00-031 % similar 1-Fluoro-2-[(trifluoromethyl)sulfonyl]benzene2358-41-031 % similar Triphenylsulfonium nonafluorobutanesulfonate144317-44-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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