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Molecule

1-Butyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)Imide

CAS: 174899-83-3 · C10H15F6N3O4S2

2D Structure

3D Structure

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Basic Information

CAS Registry Number
174899-83-3
Molecular Formula
C10H15F6N3O4S2
Molecular Mass
419.37 g/mol

Identifiers

CAS Registry Number

174899-83-3

SMILES

CCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F

InChI Key

INDFXCHYORWHLQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H15N2.C2F6NO4S2/c1-3-4-5-10-7-6-9(2)8-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-8H,3-5H2,1-2H3;/q+1;-1

Names and Synonyms

  • 1-Butyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)Imide Synonym
  • 1H-Imidazolium, 3-butyl-1-methyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1) Synonym
  • 1-Butyl-3-methylimidazolium N,N-bis(trifluoromethanesulfonyl)imide Synonym
  • 1-Butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide(1-) Synonym
  • 1-Butyl-3-methyl-1H-imidazolium N,N-bis[(trifluoromethyl)sulfonyl]amide Synonym
  • 1-Butyl-3-methylimidazolium bis(trifluoromethane)sulfonimide Synonym
  • 1-Butyl-3-methylimidazolium bistriflamide Synonym
  • 3-Butyl-1-methylimidazolium bis(trifluoromethanesulfonyl)imide Synonym
  • 3-Butyl-1-methylimidazolium bis(trifluoromethylsulfonyl)imide Synonym
  • 1-Butyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]amide Synonym
  • 1-Butyl-3-methylimidiazolium bis(trifluoromethanesulfonyl)imide Synonym
  • 1-Butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide Synonym
  • 1-n-Butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide Synonym
  • 1-Butyl-3-methylimidazolium triflimide Synonym
  • Bmim bis(trifluoromethanesulfonyl)imide Synonym
  • 1-Butyl-3-methylimidazolium bis(trifluoromethanesulfonimide) salt Synonym
  • 1-Butyl-3-methylimidazolium bis(trifluoromethanesylfonyl)imide(1-) Synonym
  • 1-Methyl-3-butylimidazolium bis(trifluoromethylsulfonyl)imide Synonym
  • 1-Butyl-3-methyl-1H-imidazolium N,N-bis(trifluoromethanesulfonyl)imide Synonym
  • BMI-TFSI Synonym
  • 1-Butyl-3-methylimidazolium bis((trifluoromethy)sulfonyl)imide Synonym
  • 1-Butyl-3-methyl-1H-imidazolium 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide(1-) Synonym
  • 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide(1-) Synonym
  • [C4Mim+][Tf2N-] Synonym
  • 1-Butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imidate Synonym
  • 1-Butyl-3-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide Synonym
  • BMIM-TFSI Synonym
  • Butyl methyl imidazolium bis(trifluoromethyl)sulfonimide Synonym
  • BMI-N 111 Synonym
  • 1-Butyl-3-methylimidazolium bis(trifluoromethylsufonyl)imide Synonym
  • 1H-Imidazolium, 1-butyl-3-methyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1) Synonym
  • Methanesulfonamide, 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]-, ion(1-), 1-butyl-3-methyl-1H-imidazolium Synonym
  • 1-Butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide Synonym
  • 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide Synonym
  • 1-n-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide Synonym
  • 1-Butyl-3-methylimidazolium bistriflimide Synonym
  • 1-Butyl-3-methyl-1H-imidazolium salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1) Synonym
  • 1-Butyl-3-methyl-1H-imidazolium salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide Synonym
  • 1-Butyl-3-methylimidazolium bis(triflyl)imide Synonym
  • 1-Butyl-3-methylimidazolium N,N-bis(trifluoromethylsulfonyl)amide Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 419.37 g/mol CAS Common Chemistry
419.369 g/mol RDKit
420.363 g/mol chempirical lib
Density 1.44 g/cm³ CAS Common Chemistry
1.4386 g/cm3 @ 22.9-23.7 °C CAS Common Chemistry
Canonical SMILES O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.C1=C[N+](=CN1C)CCCC CAS Common Chemistry
InChI InChI=1S/C8H15N2.C2F6NO4S2/c1-3-4-5-10-7-6-9(2)8-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-8H,3-5H2,1-2H3;/q+1;-1 CAS Common Chemistry
InChI Key InChIKey=INDFXCHYORWHLQ-UHFFFAOYSA-N CAS Common Chemistry
Melting Point -4.9 °C CAS Common Chemistry
Name 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide CAS Common Chemistry
Heavy Atom Count 25 RDKit
Hydrogen Bond Acceptors 5 RDKit
4 RDKit
Hydrogen Bond Donors 0 RDKit
Rotatable Bonds 5 RDKit
Aromatic Ring Count 1 RDKit
Topological Polar Surface Area 91.19 Ų RDKit
LogP 2.1720000000000006 RDKit
2.172 RDKit
Molar Refractivity 73.82460000000002 cm³/mol RDKit
Ring Count 1 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.7 RDKit
Exact Mass 419.04081728 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

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Quick conversion

MW = 419.37 g/mol; density = 1.440 g/mL. Edit any field — others recompute live.

Related

Related molecules

Other compounds with formula C10H15F6N3O4S2.

1H-Imidazolium, 1,2-dimethyl-3-propyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1) CAS 169051-76-7

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