1-Butyl-3-methylimidazolium Hexafluorophosphate - CAS 174501-64-5
Catalog: |
BB013014 |
Product Name: |
1-Butyl-3-methylimidazolium Hexafluorophosphate |
CAS: |
174501-64-5 |
Synonyms: |
1-butyl-3-methylimidazol-3-ium;hexafluorophosphate; 1-butyl-3-methylimidazol-3-ium;hexafluorophosphate |
IUPAC Name: | 1-butyl-3-methylimidazol-3-ium;hexafluorophosphate |
Description: | 1-Butyl-3-methylimidazolium hexafluorophosphate is an imidazolium-based, hydrophobic, room temperature ionic liquid (RTIL). It is an ionic liquid employed in many environmentally friendly reactions. |
Molecular Weight: | 284.19 |
Molecular Formula: | C8H15F6N2P |
Canonical SMILES: | CCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F |
InChI: | InChI=1S/C8H15N2.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-7(2,3,4,5)6/h6-8H,3-5H2,1-2H3;/q+1;-1 |
InChI Key: | IXQYBUDWDLYNMA-UHFFFAOYSA-N |
Boiling Point: | >340 °C |
Melting Point: | ~70 °C |
Flash Point: | Not applicable |
Purity: | > 98.0 % (HPLC) (N) |
Density: | 1.3727 g/cm3 |
Solubility: | Insoluble in Toluene |
Appearance: | Liquid |
Storage: | Store under inert gas, -20 °C |
MDL: | MFCD03093295 |
LogP: | 4.49510 |
Refractive Index: | n20/D 1.41 |
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 |
23021803 | 20121020 | Determination of eight fluoroquinolones in groundwater samples with ultrasound-assisted ionic liquid dispersive liquid-liquid microextraction prior to high-performance liquid chromatography and fluorescence detection | Analytica chimica acta |
22858690 | 20120921 | Electrochemical behavior of o-sec-butylphenol at glassy carbon electrode modified with multiwalled carbon nanotubes and 1-butyl-3-methylimidazolium hexafluorophosphate | The Analyst |
22868451 | 20120921 | The effect of C2 substitution on melting point and liquid phase dynamics of imidazolium based-ionic liquids: insights from molecular dynamics simulations | Physical chemistry chemical physics : PCCP |
22880635 | 20120906 | The behavior of ionic liquids under high pressure: a molecular dynamics simulation | The journal of physical chemistry. B |
22618021 | 20120901 | Trace determination of dichlorvos in environmental samples by room temperature ionic liquid-based dispersive liquid-phase microextraction combined with HPLC | Journal of chromatographic science |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.08770446 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.08770446 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 8.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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