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Molecule
Triethyloxonium Tetrafluoroborate
CAS: 368-39-8 · C6H15BF4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 368-39-8
- Molecular Formula
- C6H15BF4O
- Molecular Mass
- 189.99 g/mol
Identifiers
CAS Registry Number
368-39-8
SMILES
CC[O+](CC)CC.F[B-](F)(F)F
InChI Key
IYDQMLLDOVRSJJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H15O.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1
Names and Synonyms
- Triethyloxonium Tetrafluoroborate Common Name
- Oxonium, triethyl-, tetrafluoroborate(1-) (1:1) Synonym
- Oxonium, triethyl-, tetrafluoroborate(1-) Synonym
- Triethyloxonium tetrafluoroborate Synonym
- Triethyloxonium fluoborate Synonym
- Borate(1-), tetrafluoro-, triethyloxonium Synonym
- Triethyloxonium fluoroborate Synonym
- Triethyloxonium tetrafluoroborate(1-) Synonym
- Boron tetrafluoride triethyloxonium Synonym
- Triethyloxonium borofluoride Synonym
- Meerwein's reagent Synonym
- Reagents, Meerwein's Synonym
- NSC 176023 Synonym
- Et3OBF4 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.99 g/mol | CAS Common Chemistry |
| 189.98899999999998 g/mol | RDKit | |
| 190.11520837999998 g/mol | RDKit | |
| 189.989 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triethyloxonium_tetrafluoroborate | CAS Common Chemistry |
| Canonical SMILES | [F-][B+3]([F-])([F-])[F-].[O+](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15O.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=IYDQMLLDOVRSJJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92 °C (decomp) | CAS Common Chemistry |
| Name | Triethyloxonium tetrafluoroborate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 2.700000000000001 Ų | RDKit |
| 2.7 Ų | RDKit | |
| LogP | 2.8984000000000014 | RDKit |
| 2.8984 | RDKit | |
| Molar Refractivity | 42.89400000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 189.987 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 189.99 g/mol. Edit any field — others recompute live.
