1-Decyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide - CAS 433337-23-6
Catalog: |
BB025387 |
Product Name: |
1-Decyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide |
CAS: |
433337-23-6 |
Synonyms: |
bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium; bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium |
IUPAC Name: | bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium |
Description: | 1-Decyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide (CAS# 433337-23-6) is an organic, ionic liquid solvent used in various reactions, such as those with molybdenum(II) complexes with α-diimines, where it helps control chemoselectivity. |
Molecular Weight: | 503.52 |
Molecular Formula: | C16H27F6N3O4S2 |
Canonical SMILES: | CCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F |
InChI: | InChI=1S/C14H27N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-14H,3-11H2,1-2H3;/q+1;-1 |
InChI Key: | ZYVGZWFCGPUVSH-UHFFFAOYSA-N |
Melting Point: | -19 °C |
Purity: | > 98.0 % (T) (HPLC) |
Appearance: | Colorless to light orange to yellow clear liquid |
Storage: | Store under inert gas |
MDL: | MFCD12022376 |
LogP: | 6.67420 |
Refractive Index: | 1.44 |
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. |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22537606 | 20120601 | Selective extraction of genotoxic impurities and structurally alerting compounds using polymeric ionic liquid sorbent coatings in solid-phase microextraction: Alkyl halides and aromatics | Journal of chromatography. A |
22378767 | 20120514 | An MD study of the applicability of the Walden rule and the Nernst-Einstein model for ionic liquids | Chemphyschem : a European journal of chemical physics and physical chemistry |
22455013 | 20120101 | Using ethane and butane as probes to the molecular structure of 1-alkyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl] imide ionic liquids | Faraday discussions |
21853478 | 20110926 | Size-controllable gold-platinum alloy nanoparticles on nine functionalized ionic-liquid surfaces and their application as electrocatalysts for hydrogen peroxide reduction | Chemistry (Weinheim an der Bergstrasse, Germany) |
21683957 | 20110805 | Evaluating the solvation properties of functionalized ionic liquids with varied cation/anion composition using the solvation parameter model | Journal of chromatography. A |
Complexity: | 533 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 503.13471767 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 11 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 503.13471767 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 94.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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