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

• ChemBase ID: 140876
• Molecular Formular: C14H27BF4N2
• Molecular Mass: 310.1821928
• Monoisotopic Mass: 310.22034215
• SMILES: [B-](F)(F)(F)F.CCCCCCCCCCn1cc[n+](c1)C
• Canonical SMILES: F[B-](F)(F)F.CCCCCCCCCCn1cc[n+](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: 1-decyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide
• IUPAC Traditional name: 1-decyl-3-methylimidazolium tetrafluoroborate
• Synonyms: [C10MIM][BF4]; 1-Decyl-3-methylimidazolium tetrafluoroborate; 1-癸基-3-甲基咪唑四氟硼酸盐

Database IDs

• CAS Number: 244193-56-4
• MDL Number: MFCD09038853
• PubChem SID: 162235114
• PubChem CID: 11461044

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: 27.515379 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: n20/D 1.444

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥96.5% (HPLC)
• Impurities: ≤0.3% water
• Empirical Formula (Hill Notation): C14H27BF4N2

DETAILS

Sigma Aldrich - 690708

Packaging
5, 50 g in poly bottle