1-ethylpyridin-1-ium; tetrafluoroboranuide

• ChemBase ID: 141828
• Molecular Formular: C7H10BF4N
• Molecular Mass: 194.9656128
• Monoisotopic Mass: 195.08424261
• SMILES: [B-](F)(F)(F)F.CC[n+]1ccccc1
• Canonical SMILES: F[B-](F)(F)F.CC[n+]1ccccc1
• InChI: InChI=1S/C7H10N.BF4/c1-2-8-6-4-3-5-7-8;2-1(3,4)5/h3-7H,2H2,1H3;/q+1;-1
• InChIKey: JAKIITPDQKZZMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylpyridin-1-ium; tetrafluoroboranuide
• IUPAC Traditional name: 1-ethylpyridin-1-ium tetrafluoroborate
• Synonyms: 1-Ethylpyridinium tetrafluoroborate; 1-乙基吡啶鎓 四氟硼酸酯

Database IDs

• CAS Number: 350-48-1
• MDL Number: MFCD14156009
• Beilstein Number: 4048977
• PubChem SID: 162236062
• PubChem CID: 12077313

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.830987
• LogD (pH = 7.4): -2.830987
• Log P: -2.830987
• Molar Refractivity: 34.8051 cm^3
• Polarizability: 13.303739 Å^3
• Polar Surface Area: 3.88 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.5% (HPLC); 98%
• Impurities: ≤0.5% water
• Antion Traces: chloride (Cl-): ≤100 mg/kg; fluoride (F-): ≤150 mg/kg; phosphate (PO43-): ≤25 mg/kg; sulfate (SO42-): ≤25 mg/kg
• Empirical Formula (Hill Notation): C7H10BF4N

DETAILS

Sigma Aldrich - 713104

Packaging
5, 50 g in poly bottle