3-decyl-1-methyl-1H-imidazol-3-ium; tetrafluoroboranuide

• ChemBase ID: 300473
• Molecular Formular: C14H27BF4N2
• Molecular Mass: 310.1821928
• Monoisotopic Mass: 310.22034215
• SMILES: F[B-](F)(F)F.C(CCCCCCCCC)[n+]1cn(cc1)C
• Canonical SMILES: F[B-](F)(F)F.CCCCCCCCCC[n+]1ccn(c1)C
• InChI: InChI=1S/C14H27N2.BF4/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;2-1(3,4)5/h12-14H,3-11H2,1-2H3;/q+1;-1
• InChIKey: QGUMDWFYJYXDTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-decyl-1-methyl-1H-imidazol-3-ium; tetrafluoroboranuide
• IUPAC Traditional name: 1-decyl-3-methylimidazolium tetrafluoroborate
• Synonyms: [C10MIM][BF4]; 1-n-Decyl-3-methylimidazolium tetrafluoroborate

Database IDs

• CAS Number: 244193-56-4
• MDL Number: MFCD09038853

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.52143455
• LogD (pH = 7.4): 0.52143455
• Log P: 0.52143455
• Molar Refractivity: 70.3323 cm^3
• Polarizability: 27.515057 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4440

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 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: 97%