3-Methyl-1-octylimidazolium bis(trifluoromethylsulfonyl)imide

• CAS: 178631-04-4
• Catalog Number: ACM178631044
• Category: Other Products
• Molecular Weight: 475.5g/mol
• Molecular Formula: C14H23F6N3O4S2
• Synonyms: 3-METHYL-1-OCTYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE
• IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidazol-1-ium
• Canonical SMILES: CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C12H23N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10-12H,3-9H2,1-2H3;/q+1;-1
• InChI Key: LECQXINNQGHJBM-UHFFFAOYSA-N
• Complexity: 510
• Covalently-Bonded Unit Count: 2
• Exact Mass: 475.103418g/mol
• Formal Charge: 0
• H-Bond Acceptor: 11
• H-Bond Donor: 0
• Heavy Atom Count: 29
• Monoisotopic Mass: 475.103418g/mol
• Rotatable Bond Count: 9

Synthetic Use

Upstream Synthesis Route 1

• 90076-65-6
• 64697-40-1

• 178631-04-4

Reference: [1]Journal of Physical Chemistry B,2012,vol. 116,p. 2758 - 2774

Upstream Synthesis Route 2

• 64697-40-1
• 90076-67-8

• 178631-04-4

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