1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate - CAS 145022-44-2
Catalog: |
BB009862 |
Product Name: |
1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate |
CAS: |
145022-44-2 |
Synonyms: |
1-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate; 1-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate |
IUPAC Name: | 1-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate |
Description: | 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate stable to air and water useful for electrochemical purposes (molten salt technique) exhibiting an electrochemical stability window of ≥4 V and being stable to up to 350°C. |
Molecular Weight: | 260.23 |
Molecular Formula: | C7H11F3N2O3S |
Canonical SMILES: | CCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-] |
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 |
Boiling Point: | 671 °C |
Melting Point: | 25-35 °C |
Flash Point: | 425.3 °F - closed cup |
Purity: | > 98.0 % (T) |
Density: | 1.387 g/cm3 |
Appearance: | Colorless to light yellow to light orange clear liquid |
Storage: | Store under inert gas, 2-8 °C |
MDL: | MFCD00210008 |
LogP: | 1.46470 |
Refractive Index: | n20/D 1.435 (lit.) |
Precautionary Statement: | P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse. |
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PMID | Publication Date | Title | Journal |
22957575 | 20120907 | Computational studies of ionic liquids: size does matter and time too | The Journal of chemical physics |
22287020 | 20120307 | Comparing reduced partial charge models with polarizable simulations of ionic liquids | Physical chemistry chemical physics : PCCP |
21643580 | 20110714 | The influence of polarizability on the dielectric spectrum of the ionic liquid 1-ethyl-3-methylimidazolium triflate | Physical chemistry chemical physics : PCCP |
21766952 | 20110714 | Collective translational motions and cage relaxations in molecular ionic liquids | The Journal of chemical physics |
21476760 | 20110407 | Existence of optical phonons in the room temperature ionic liquid 1-ethyl-3-methylimidazolium trifluoromethanesulfonate | The Journal of chemical physics |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.04424788 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.04424788 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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