3-Butyl-1-methyl-3-imidazolium 4-Methylbenzenesulfonate - CAS 410522-18-8
Catalog: |
BB024766 |
Product Name: |
3-Butyl-1-methyl-3-imidazolium 4-Methylbenzenesulfonate |
CAS: |
410522-18-8 |
Synonyms: |
1-butyl-3-methylimidazol-3-ium;4-methylbenzenesulfonate; 1-butyl-3-methylimidazol-3-ium;4-methylbenzenesulfonate |
IUPAC Name: | 1-butyl-3-methylimidazol-3-ium;4-methylbenzenesulfonate |
Description: | 3-Butyl-1-methyl-3-imidazolium 4-Methylbenzenesulfonate (CAS# 410522-18-8) is a useful research chemical compound. |
Molecular Weight: | 310.41 |
Molecular Formula: | C15H22N2O3S |
Canonical SMILES: | CCCCN1C=C[N+](=C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
InChI: | InChI=1S/C8H15N2.C7H8O3S/c1-3-4-5-10-7-6-9(2)8-10;1-6-2-4-7(5-3-6)11(8,9)10/h6-8H,3-5H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
InChI Key: | VWFZFKKEKWMXIA-UHFFFAOYSA-M |
LogP: | 3.09260 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21420854 | 20110601 | One-step production of biodiesel from Jatropha oil with high-acid value in ionic liquids | Bioresource technology |
21459366 | 20110515 | Conversion of hexose into 5-hydroxymethylfurfural in imidazolium ionic liquids with and without a catalyst | Carbohydrate research |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.13511374 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.13511374 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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