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Home Sulfos 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate

1-Ethyl-3-methylimidazolium trifluoromethanesulfonate

CAS No.:
145022-44-2
Catalog Number:
AG003EB1
Molecular Formula:
C7H11F3N2O3S
Molecular Weight:
260.2340
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(NMR)
In Stock USA
United States
$73
- +
25g
98%(NMR)
In Stock USA
United States
$155
- +
100g
98%(NMR)
In Stock USA
United States
$415
- +
500g
98%(NMR)
In Stock USA
United States
$1547
- +
Product Description
Catalog Number:
AG003EB1
Chemical Name:
1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
CAS Number:
145022-44-2
Molecular Formula:
C7H11F3N2O3S
Molecular Weight:
260.2340
MDL Number:
MFCD00210008
IUPAC Name:
1-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
InChI:
InChI=1S/C6H11N2.CHF3O3S/c1-3-8-5-4-7(2)6-8;2-1(3,4)8(5,6)7/h4-6H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChI Key:
ZPTRYWVRCNOTAS-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C(F)(F)F.CCn1cc[n+](c1)C
EC Number:
680-002-1
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.044g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.231g/mol
Monoisotopic Mass:
260.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Comparing reduced partial charge models with polarizable simulations of ionic liquids. Physical chemistry chemical physics : PCCP 20120307
Ion-pair structure of vaporized ionic liquid studied by matrix-isolation FTIR spectroscopy with DFT calculations: a case of 1-ethyl-3-methylimidazolium trifluoromethanesulfonate. The journal of physical chemistry. A 20101209
Properties