3-methyl-1-octyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide

• ChemBase ID: 301126
• Molecular Formular: C12H23F6N2P
• Molecular Mass: 340.2886002
• Monoisotopic Mass: 340.1503047
• SMILES: F[P-](F)(F)(F)(F)F.C[n+]1cn(cc1)CCCCCCCC
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCCCCCCn1cc[n+](c1)C
• InChI: InChI=1S/C12H23N2.F6P/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;1-7(2,3,4,5)6/h10-12H,3-9H2,1-2H3;/q+1;-1
• InChIKey: GRCIJNHHTXBJAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-octyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: 1-octyl-3-methylimidazolium hexafluorophosphate
• Synonyms: 1-Methyl-3-n-octylimidazolium hexafluorophosphate; 1-methyl-3-octylimidazolium hexafluorophosphate

Database IDs

• CAS Number: 304680-36-2
• MDL Number: MFCD06798203

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.36770278
• LogD (pH = 7.4): -0.36770278
• Log P: -0.36770278
• Molar Refractivity: 61.1303 cm^3
• Polarizability: 23.823648 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%; 98%