1-Methyl-3-octylimidazolium Tetrafluoroborate - CAS 244193-52-0
Catalog: |
BB018466 |
Product Name: |
1-Methyl-3-octylimidazolium Tetrafluoroborate |
CAS: |
244193-52-0 |
Synonyms: |
1-methyl-3-octylimidazol-1-ium;tetrafluoroborate; 1-methyl-3-octylimidazol-1-ium;tetrafluoroborate |
IUPAC Name: | 1-methyl-3-octylimidazol-1-ium;tetrafluoroborate |
Description: | Enzyme catalysis in ionic liquids: lipase-catalyzed kinetic resolution; phase behaviour. |
Molecular Weight: | 282.13 |
Molecular Formula: | C12H23F4N2B |
Canonical SMILES: | [B-](F)(F)(F)F.CCCCCCCCN1C=C[N+](=C1)C |
InChI: | InChI=1S/C12H23N2.BF4/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;2-1(3,4)5/h10-12H,3-9H2,1-2H3;/q+1;-1 |
InChI Key: | GXZCAMSPWNHTAE-UHFFFAOYSA-N |
Boiling Point: | >350 °C (lit.) |
Melting Point: | 25-35 °C |
Flash Point: | Not applicable |
Purity: | > 97.0 % (HPLC) (N) |
Density: | 1.12 g/cm3 |
Appearance: | Light yellow to brown clear liquid |
Storage: | Store under inert gas, 2-8 °C |
MDL: | MFCD03095434 |
LogP: | 3.97310 |
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 |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
23124473 | 20121102 | Sol-gel entrapped Candida antarctica lipase B--a biocatalyst with excellent stability for kinetic resolution of secondary alcohols | Molecules (Basel, Switzerland) |
22458964 | 20120504 | Stir bar sorptive extraction and high performance liquid chromatographic determination of carvedilol in human serum using two different polymeric phases and an ionic liquid as desorption solvent | Journal of chromatography. A |
21912977 | 20120101 | Acute toxicity and responses of antioxidant systems to 1-methyl-3-octylimidazolium bromide at different developmental stages of goldfish | Ecotoxicology (London, England) |
21944958 | 20120101 | Immunotoxicity of 1-methyl-3-octylimidazolium bromide on brocarded carp (Cyprinus carpio L.) | Ecotoxicology and environmental safety |
22455025 | 20120101 | Adsorption, absorption and desorption of gases at liquid surfaces: water on [C8C1Im][BF4] and [C2C1Iml][Tf2N] | Faraday discussions |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.1890416 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.1890416 |
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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