1-butyl-2,3-dimethyl-1H-imidazol-3-ium trifluoroborane fluoride

• ChemBase ID: 296404
• Molecular Formular: C9H17BF4N2
• Molecular Mass: 240.0492928
• Monoisotopic Mass: 240.14209183
• SMILES: B(F)(F)F.CCCCn1cc[n+](c1C)C.[F-]
• Canonical SMILES: FB(F)F.CCCCn1cc[n+](c1C)C.[F-]
• InChI: InChI=1S/C9H17N2.BF3.FH/c1-4-5-6-11-8-7-10(3)9(11)2;2-1(3)4;/h7-8H,4-6H2,1-3H3;;1H/q+1;;/p-1
• InChIKey: GBTYDAPRKMDXFZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butyl-2,3-dimethyl-1H-imidazol-3-ium trifluoroborane fluoride
• IUPAC Traditional name: 3-butyl-1,2-dimethylimidazol-1-ium boron trifluoride fluoride
• Synonyms: 1-n-Butyl-2,3-dimethylimidazolium tetrafluoroborate; 1-正丁基-2,3-二甲基咪唑四氟硼酸盐

Database IDs

• CAS Number: 402846-78-0
• MDL Number: MFCD03427618
• PubChem SID: 180681935
• PubChem CID: 16211073

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.5068161
• LogD (pH = 7.4): -2.5068161
• Log P: -2.5068161
• Molar Refractivity: 57.9327 cm^3
• Polarizability: 18.20823 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.198

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%