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Molecule
1-Ethyl-3-Methylimidazolium Tetrafluoroborate
CAS: 143314-16-3 · C6H11BF4N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 143314-16-3
- Molecular Formula
- C6H11BF4N2
- Molecular Mass
- 197.97199999999998 g/mol
Identifiers
CAS Registry Number
143314-16-3
SMILES
CCn1cc[n+](C)c1.F[B-](F)(F)F
InChI Key
CUNYTRQQXKCRTJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H11N2.BF4/c1-3-8-5-4-7(2)6-8;2-1(3,4)5/h4-6H,3H2,1-2H3;/q+1;-1
Names and Synonyms
- 1-Ethyl-3-Methylimidazolium Tetrafluoroborate Systematic Name
- 1H-Imidazolium, 3-ethyl-1-methyl-, tetrafluoroborate(1-) (1:1) Synonym
- 1-Ethyl-3-methylimidazolium tetrafluoroborate Synonym
- 1-Ethyl-3-methyl-1H-imidazolium tetrafluoroborate(1-) Synonym
- 3-Ethyl-1-methylimidazolium tetrafluoroborate Synonym
- N-Methyl-N′-ethylimidazolium tetrafluoroborate Synonym
- 1-Ethyl-3-methyl-1H-imidazolium tetrafluoroborate Synonym
- Ethylmethylimidazolium tetrafluoroborate Synonym
- 1-Ethyl-3-methylimidazolium tetrafluoroborate(1-) Synonym
- 1-Methyl-3-ethylimidazolium tetrafluoroborate Synonym
- SA 3 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.28 g/cm3 @ Temp: Room temp | CAS Common Chemistry | |
| Canonical SMILES | [F-][B+3]([F-])([F-])[F-].C1=C[N+](=CN1C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H11N2.BF4/c1-3-8-5-4-7(2)6-8;2-1(3,4)5/h4-6H,3H2,1-2H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=CUNYTRQQXKCRTJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 13 °C | CAS Common Chemistry |
| Name | 1-Ethyl-3-methylimidazolium tetrafluoroborate | CAS Common Chemistry |
| Molecular Mass | 197.97199999999998 g/mol | RDKit |
| 198.09514163199998 g/mol | RDKit | |
| 197.972 g/mol | RDKit | |
| 198.978 g/mol | chempirical lib | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| 0 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 8.809999999999999 Ų | RDKit |
| 8.81 Ų | RDKit | |
| LogP | 1.6324999999999998 | RDKit |
| 1.6325 | RDKit | |
| Molar Refractivity | 41.46800000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 197.97 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 197.97 g/mol; density = 1.280 g/mL. Edit any field — others recompute live.
