1-butyl-3-methyl-1H-imidazol-3-ium; hexafluorostibanuide

• ChemBase ID: 142230
• Molecular Formular: C8H15F6N2Sb
• Molecular Mass: 374.9685192
• Monoisotopic Mass: 374.01775781
• SMILES: CCCCn1cc[n+](c1)C.F[Sb-](F)(F)(F)(F)F
• Canonical SMILES: F[Sb-](F)(F)(F)(F)F.CCCCn1cc[n+](c1)C
• InChI: InChI=1S/C8H15N2.6FH.Sb/c1-3-4-5-10-7-6-9(2)8-10;;;;;;;/h6-8H,3-5H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6
• InChIKey: CSHAOLBENQQIBR-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butyl-3-methyl-1H-imidazol-3-ium; hexafluorostibanuide
• IUPAC Traditional name: 1-butyl-3-methylimidazolium; hexafluorostibanuide
• Synonyms: 1-Butyl-3-methylimidazolium hexafluoroantimonate; 1-丁基-3-甲基咪唑六氟锑酸盐

Database IDs

• CAS Number: 174645-81-9
• MDL Number: MFCD07784453
• PubChem SID: 162236460; 24873488
• PubChem CID: 16688641

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.1459775
• LogD (pH = 7.4): -2.1459775
• Log P: -2.1459775
• Molar Refractivity: 42.7263 cm^3
• Polarizability: 16.443125 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (T)
• Impurities: ≤0.1% water; ≤500 mg/kg halogen (as chloride)
• Empirical Formula (Hill Notation): C8H15F6N2Sb

DETAILS

Sigma Aldrich - 51027

Packaging
5 g in poly tube
50 g in poly bottle