1-Ethyl-3-methyl-3-imidazolium 4-Methylbenzenesulfonate - CAS 328090-25-1
Catalog: |
BB021421 |
Product Name: |
1-Ethyl-3-methyl-3-imidazolium 4-Methylbenzenesulfonate |
CAS: |
328090-25-1 |
Synonyms: |
1-ethyl-3-methylimidazol-3-ium;4-methylbenzenesulfonate; 1-ethyl-3-methylimidazol-3-ium;4-methylbenzenesulfonate |
IUPAC Name: | 1-ethyl-3-methylimidazol-3-ium;4-methylbenzenesulfonate |
Description: | 1-Ethyl-3-methyl-3-imidazolium 4-Methylbenzenesulfonate (CAS# 328090-25-1) is a useful research chemical. |
Molecular Weight: | 282.36 |
Molecular Formula: | C13H18N2O3S |
Canonical SMILES: | CCN1C=C[N+](=C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
InChI: | InChI=1S/C7H8O3S.C6H11N2/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-8-5-4-7(2)6-8/h2-5H,1H3,(H,8,9,10);4-6H,3H2,1-2H3/q;+1/p-1 |
InChI Key: | HXMUPILCYSJMLQ-UHFFFAOYSA-M |
Purity: | > 98.0 % |
Density: | 1.231 g/mL at 20 °C(lit.) |
Appearance: | White to yellow to orange powder to crystal |
Storage: | Sealed in dry. Inert atmosphere. |
MDL: | MFCD03788929 |
LogP: | 2.31240 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22420669 | 20120405 | Ion pairing and anion-driven aggregation of an ionic liquid in aqueous salt solutions | The journal of physical chemistry. B |
21822579 | 20120101 | Fluorescence study on the structure of ionic liquid aggregates in aqueous solutions | Journal of fluorescence |
20385188 | 20100701 | An unusual peptide from Conus villepinii: synthesis, solution structure, and cardioactivity | Peptides |
19331328 | 20090423 | High-pressure study of the methylsulfate and tosylate imidazolium ionic liquids | The journal of physical chemistry. B |
16942043 | 20060907 | Dynamics in supercooled ionic organic liquids and mode coupling theory analysis | The journal of physical chemistry. A |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.10381361 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.10381361 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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