1-hexyl-3-methyl-1H-imidazol-3-ium trifluoroborane fluoride

• ChemBase ID: 296484
• Molecular Formular: C10H19BF4N2
• Molecular Mass: 254.0758728
• Monoisotopic Mass: 254.1577419
• SMILES: B(F)(F)F.CCCCCCn1cc[n+](c1)C.[F-]
• Canonical SMILES: FB(F)F.CCCCCCn1cc[n+](c1)C.[F-]
• InChI: InChI=1S/C10H19N2.BF3.FH/c1-3-4-5-6-7-12-9-8-11(2)10-12;2-1(3)4;/h8-10H,3-7H2,1-2H3;;1H/q+1;;/p-1
• InChIKey: ZWNPETOWZWVYCY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hexyl-3-methyl-1H-imidazol-3-ium trifluoroborane fluoride
• IUPAC Traditional name: 1-hexyl-3-methylimidazolium boron trifluoride fluoride
• Synonyms: HMIMBF4; 1-n-Hexyl-3-methylimidazolium tetrafluoroborate; 1-正己基-3-四氟硼酸甲基咪唑

Database IDs

• CAS Number: 244193-50-8
• MDL Number: MFCD03095459
• PubChem SID: 180682015
• PubChem CID: 73995101

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.2568401
• LogD (pH = 7.4): -1.2568401
• Log P: -1.2568401
• Molar Refractivity: 51.9283 cm^3
• Polarizability: 20.132729 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -81°C
• Density: 1.149
• Refractive Index: 1.4300

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 99%