1-Methyl-3-octylimidazolium Chloride - CAS 64697-40-1
Catalog: |
BB032541 |
Product Name: |
1-Methyl-3-octylimidazolium Chloride |
CAS: |
64697-40-1 |
Synonyms: |
1-methyl-3-octylimidazol-1-ium;chloride; 1-methyl-3-octylimidazol-1-ium;chloride |
IUPAC Name: | 1-methyl-3-octylimidazol-1-ium;chloride |
Description: | 1-Methyl-3-octylimidazolium chloride ionic liquid ([MOIM]Cl) can be used as a reaction medium for the hydrolysis of sucrose to form hydroxymethylfurfural in the presence of HCl and metal chloride catalyst. |
Molecular Weight: | 230.78 |
Molecular Formula: | C12H23ClN2 |
Canonical SMILES: | CCCCCCCCN1C=C[N+](=C1)C.[Cl-] |
InChI: | InChI=1S/C12H23N2.ClH/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-12H,3-9H2,1-2H3;1H/q+1;/p-1 |
InChI Key: | OXFBEEDAZHXDHB-UHFFFAOYSA-M |
Boiling Point: | >350 °C (lit.) |
Melting Point: | 25-35 °C |
Flash Point: | Not applicable |
Purity: | > 98.0 % (T) (HPLC) |
Density: | 1.01 g/mL at 20°C(lit.) |
Appearance: | Colorless to yellow to orange clear liquid |
Storage: | Store under inert gas, 2-8 °C |
MDL: | MFCD03095432 |
LogP: | -0.32290 |
Refractive Index: | n20/D 1.505-1.515 |
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 |
23696008 | 20130601 | Responses of the antioxidant system in QGY-7701 cells to the cytotoxicity and apoptosis induced by 1-octyl-3-methylimidazolium chloride | Journal of biochemical and molecular toxicology |
22798189 | 20121001 | Fluorescence spectroscopic analysis of the interaction of papain with ionic liquids | Applied biochemistry and biotechnology |
22835898 | 20121001 | Toxic cytological alteration and mitochondrial dysfunction in PC12 cells induced by 1-octyl-3-methylimidazolium chloride | Toxicology in vitro : an international journal published in association with BIBRA |
22313385 | 20120315 | Investigation of nanostructure in room temperature ionic liquids using electronic excitation transfer | The journal of physical chemistry. B |
22191485 | 20120301 | Effect of curcumin on liposome: curcumin as a molecular probe for monitoring interaction of ionic liquids with 1,2-dipalmitoyl-sn-glycero-3-phosphocholine liposome | Photochemistry and photobiology |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.1549764 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.1549764 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 8.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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