1-butyl-4-methylpyridin-1-ium pentafluoro-λ5-phosphane fluoride

• ChemBase ID: 296443
• Molecular Formular: C10H16F6NP
• Molecular Mass: 295.2049202
• Monoisotopic Mass: 295.09245547
• SMILES: CCCC[n+]1ccc(cc1)C.[F-].FP(F)(F)(F)F
• Canonical SMILES: FP(F)(F)(F)F.CCCC[n+]1ccc(cc1)C.[F-]
• InChI: InChI=1S/C10H16N.F5P.FH/c1-3-4-7-11-8-5-10(2)6-9-11;1-6(2,3,4)5;/h5-6,8-9H,3-4,7H2,1-2H3;;1H/q+1;;/p-1
• InChIKey: CEYLEHDRTMLPEP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butyl-4-methylpyridin-1-ium pentafluoro-λ^5-phosphane fluoride
• IUPAC Traditional name: 1-butyl-4-methylpyridin-1-ium phosphorus pentafluoride fluoride
• Synonyms: 1-n-Butyl-4-picolinium hexafluorophosphate; 4MBPPF6; 1-n-Butyl-4-methylpyridinium hexafluorophosphate; 1-正丁基4-甲基-吡啶六氟硼酸盐

Database IDs

• CAS Number: 401788-99-6
• MDL Number: MFCD03095438
• PubChem SID: 180681974
• PubChem CID: 73995098

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.3504746
• LogD (pH = 7.4): -1.3504746
• Log P: -1.3504746
• Molar Refractivity: 48.9713 cm^3
• Polarizability: 18.761469 Å^3
• Polar Surface Area: 3.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%