Tetrabutylammonium trifluoromethanesulfonate

C17H36F3NO3SCAS 35895-70-6391.53 g/mol

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Alkyl halideQuaternary ammoniumSulfonic acid

Properties

Molecular formula
C17H36F3NO3S
Molar mass
391.53 g/mol
Exact mass
391.2368 Da
logP
5.05Crippen estimate
Polar surface area
57.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
12

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
35895-70-6
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)([O-])C(F)(F)F
InChIKey
YNJQKNVVBBIPBA-UHFFFAOYSA-M
InChI
InChI=1S/C16H36N.CHF3O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)8(5,6)7/h5-16H2,1-4H3;(H,5,6,7)/q+1;/p-1

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

Names and synonyms

6 names
  • 1-Butanaminium, N,N,N-tributyl-, trifluoromethanesulfonate (1:1)
  • 1-Butanaminium, N,N,N-tributyl-, salt with trifluoromethanesulfonic acid (1:1)
  • Methanesulfonic acid, trifluoro-, ion(1-), N,N,N-tributyl-1-butanaminium
  • Tetrabutylammonium triflate
  • Tetrabutylammonium trifluoromethylsulfonate
  • Tetra-n-butylammonium trifluoromethanesulfonate

Work with Tetrabutylammonium trifluoromethanesulfonate

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 Tetra-n-butylammonium iodide311-28-4Salt Tetra-n-butylammonium fluoride429-41-4Salt Lithium triflate33454-82-9Salt Zinc triflate54010-75-2Salt Copper(II) triflate34946-82-2Salt Silver trifluoromethanesulfonate2923-28-6Salt Scandium(III) trifluoromethanesulfonate144026-79-9Salt Tetrabutylammonium bromide1643-19-2Salt N-Fluoropyridinium triflate107263-95-6Salt Tetrabutylammonium chloride1112-67-0Salt Tetrabutylammonium hexafluorophosphate3109-63-5Salt

Similar compounds

Hafnium(IV) trifluoromethanesulfonate161337-67-348 % similar Tributylmethylammonium bis(trifluoromethylsulfonyl)imide405514-94-545 % similar Tetrahexylammonium hydrogen sulfate32503-34-745 % similar Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate99326-34-844 % similar 1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide223437-11-444 % similar 1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide623580-02-943 % similar Tetrapropylammonium hydrogen sulfate56211-70-238 % similar Tetrapentylammonium iodide2498-20-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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