1-octyl-3-methylimidazolium trifluoromethanesulfonate

• CAS: 403842-84-2
• Catalog Number: ACM403842842-1
• Category: Imidazolium Ionic Liquids
• Molecular Weight: 344.3935296
• Molecular Formula: C13H23N2F3SO3
• IUPAC Name: 1-methyl-3-octylimidazol-1-ium;trifluoromethanesulfonate
• Canonical SMILES: CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
• InChI: InChI=1S/C12H23N2.CHF3O3S/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;2-1(3,4)8(5,6)7/h10-12H,3-9H2,1-2H3;(H,5,6,7)/q+1;/p-1
• InChI Key: BCVMAYRUJBXMAP-UHFFFAOYSA-M
• Abbreviation: OMIMOTF
• Chemical Formula: [OMIm] OTf
• Complexity: 281
• Covalently-Bonded Unit Count: 2
• Exact Mass: 344.138148g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 0
• Heavy Atom Count: 22
• Monoisotopic Mass: 344.138148g/mol
• Rotatable Bond Count: 7

Synthetic Use

Upstream Synthesis Route 1

• 2926-27-4
• 64697-40-1

• 403842-84-2

Reference: [1]Journal of Chemical and Engineering Data,2006,vol. 51,p. 1389 - 1393

Upstream Synthesis Route 2

• 616-47-7
• 111-83-1
• 2926-27-4

• 403842-84-2

Reference: [1]Synlett,2007,p. 2065 - 2068
[2]Australian Journal of Chemistry,2007,vol. 60,p. 946 - 950

Upstream Synthesis Route 3

• 616-47-7
• 111-85-3
• 2926-27-4

• 403842-84-2

Reference: [1]Molecules,2008,vol. 13,p. 149 - 156