1-ethyl-2,3-dimethyl-1H-imidazol-3-ium; tetrafluoroboranuide

• ChemBase ID: 141819
• Molecular Formular: C7H13BF4N2
• Molecular Mass: 211.9961328
• Monoisotopic Mass: 212.11079171
• SMILES: [B-](F)(F)(F)F.CCn1cc[n+](c1C)C
• Canonical SMILES: F[B-](F)(F)F.CCn1cc[n+](c1C)C
• InChI: InChI=1S/C7H13N2.BF4/c1-4-9-6-5-8(3)7(9)2;2-1(3,4)5/h5-6H,4H2,1-3H3;/q+1;-1
• InChIKey: KNIWGPCMWBGRBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-2,3-dimethyl-1H-imidazol-3-ium; tetrafluoroboranuide
• IUPAC Traditional name: 3-ethyl-1,2-dimethylimidazol-1-ium tetrafluoroborate
• Synonyms: 1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate; 1-乙基-2,3-二甲基咪唑鎓 四氟硼酸酯

Database IDs

• CAS Number: 307492-75-7
• MDL Number: MFCD08458929
• PubChem SID: 162236053
• PubChem CID: 21977262

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.4739072
• LogD (pH = 7.4): -3.4739072
• Log P: -3.4739072
• Molar Refractivity: 48.8077 cm^3
• Polarizability: 14.520317 Å^3
• Polar Surface Area: 8.81 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%
• Impurities: ≤0.5% water
• Empirical Formula (Hill Notation): C7H13BF4N2

DETAILS

Sigma Aldrich - 713023

Packaging
5, 50 g in poly bottle