1-Ethyl-3-methylimidazolium Bromide - CAS 65039-08-9
Catalog: |
BB032619 |
Product Name: |
1-Ethyl-3-methylimidazolium Bromide |
CAS: |
65039-08-9 |
Synonyms: |
1-ethyl-3-methylimidazol-3-ium;bromide; 1-ethyl-3-methylimidazol-3-ium;bromide |
IUPAC Name: | 1-ethyl-3-methylimidazol-3-ium;bromide |
Description: | 1-Ethyl-3-methylimidazolium bromide can be used to prepare 1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide and 1-ethyl-3-methylimidazolium tetrafluoroborate. |
Molecular Weight: | 191.07 |
Molecular Formula: | C6H11BrN2 |
Canonical SMILES: | CCN1C=C[N+](=C1)C.[Br-] |
InChI: | InChI=1S/C6H11N2.BrH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1 |
InChI Key: | GWQYPLXGJIXMMV-UHFFFAOYSA-M |
Melting Point: | ≥−15 °C (lit.) |
Flash Point: | Not applicable |
Purity: | > 98.0 % (T) |
Solubility: | Soluble in Dichloromethane, Methanol |
Appearance: | White to light yellow powder to crystal |
Storage: | Store under inert gas, 2-8 °C |
MDL: | MFCD03427610 |
LogP: | -2.66350 |
Refractive Index: | n20/D 1.501 |
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 |
22098258 | 20120621 | Thermal decomposition mechanism of 1-ethyl-3-methylimidazolium bromide ionic liquid | The journal of physical chemistry. A |
21975950 | 20111121 | Temperature-dependent conductivity of Emim+ (Emim+ = 1-ethyl-3-methyl imidazolium) confined in channels of a metal-organic framework | Chemical communications (Cambridge, England) |
22010721 | 20111014 | Atomistic simulations of the solid-liquid transition of 1-ethyl-3-methyl imidazolium bromide ionic liquid | The Journal of chemical physics |
22058847 | 20110901 | trans-Dibromidobis(1-ethyl-3-methyl-imidazol-2-yl-idene)palladium(II) | Acta crystallographica. Section E, Structure reports online |
21861574 | 20110821 | X-Ray absorption spectroscopy investigation of 1-alkyl-3-methylimidazolium bromide salts | The Journal of chemical physics |
Complexity: | 72.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.01056 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.01056 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 8.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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