1-Hexyl-3-methylimidazolium Chloride - CAS 171058-17-6
Catalog: |
BB012707 |
Product Name: |
1-Hexyl-3-methylimidazolium Chloride |
CAS: |
171058-17-6 |
Synonyms: |
1-hexyl-3-methylimidazol-3-ium;chloride; 1-hexyl-3-methylimidazol-3-ium;chloride |
IUPAC Name: | 1-hexyl-3-methylimidazol-3-ium;chloride |
Description: | 1-hexyl-3-methylimidazolium chloride is an ionic liquid (IL). Its surface and bulk properties in aqueous solution at various temperatures indicates that it behaves as a short-chain cationic surfactant and shows aggregation behavior. |
Molecular Weight: | 202.72 |
Molecular Formula: | C10H19ClN2 |
Canonical SMILES: | CCCCCCN1C=C[N+](=C1)C.[Cl-] |
InChI: | InChI=1S/C10H19N2.ClH/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1 |
InChI Key: | NKRASMXHSQKLHA-UHFFFAOYSA-M |
Boiling Point: | >350 °C (lit.) |
Melting Point: | 38 °C |
Flash Point: | Not applicable |
Purity: | > 98.0 % (T) |
Density: | 1.0337 g/cm3 |
Solubility: | Soluble in Methanol, Dichloromethane |
Appearance: | Colorless to yellow clear liquid |
Storage: | Store under inert gas, 2-8 °C |
MDL: | MFCD03093289 |
LogP: | -1.10310 |
Refractive Index: | n20/D 1.435 (lit.) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22841117 | 20120815 | Selective extraction and determination of vitamin B12 in urine by ionic liquid-based aqueous two-phase system prior to high-performance liquid chromatography | Talanta |
22446050 | 20120601 | Pretreatment of rice hulls by ionic liquid dissolution | Bioresource technology |
21932855 | 20111117 | Ionic association and solvation of the ionic liquid 1-hexyl-3-methylimidazolium chloride in molecular solvents revealed by vapor pressure osmometry, conductometry, volumetry, and acoustic measurements | The journal of physical chemistry. B |
21459366 | 20110515 | Conversion of hexose into 5-hydroxymethylfurfural in imidazolium ionic liquids with and without a catalyst | Carbohydrate research |
21584288 | 20110101 | Induction of the multixenobiotic/multidrug resistance system in HeLa cells in response to imidazolium ionic liquids | Acta biochimica Polonica |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.1236763 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.1236763 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 8.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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