1-butyl-4-methylpyridin-1-ium trifluoroborane fluoride

• ChemBase ID: 296397
• Molecular Formular: C10H16BF4N
• Molecular Mass: 237.0453528
• Monoisotopic Mass: 237.1311928
• SMILES: B(F)(F)F.CCCC[n+]1ccc(cc1)C.[F-]
• Canonical SMILES: FB(F)F.CCCC[n+]1ccc(cc1)C.[F-]
• InChI: InChI=1S/C10H16N.BF3.FH/c1-3-4-7-11-8-5-10(2)6-9-11;2-1(3)4;/h5-6,8-9H,3-4,7H2,1-2H3;;1H/q+1;;/p-1
• InChIKey: RBIGYLARPZEOEJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butyl-4-methylpyridin-1-ium trifluoroborane fluoride
• IUPAC Traditional name: 1-butyl-4-methylpyridin-1-ium boron trifluoride fluoride
• Synonyms: 1-n-Butyl-4-picolinium tetrafluoroborate; 4MBPBF4; 1-n-Butyl-4-methylpyridinium tetrafluoroborate; 4-甲基-1-丁基吡啶四氟硼酸盐

Database IDs

• CAS Number: 343952-33-0
• MDL Number: MFCD03095460
• PubChem SID: 180681928
• PubChem CID: 73995092

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

• Density: 1.2
• Refractive Index: 1.4

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319
• GHS Precautionary statements: P280-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 99%