Back to Search
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
Names and Synonyms:
Triethyloxonium Tetrafluoroborate
Oxonium, triethyl-, tetrafluoroborate(1-) (1:1)
Oxonium, triethyl-, tetrafluoroborate(1-)
Triethyloxonium tetrafluoroborate
Triethyloxonium fluoborate
Borate(1-), tetrafluoro-, triethyloxonium
Triethyloxonium fluoroborate
Triethyloxonium tetrafluoroborate(1-)
Boron tetrafluoride triethyloxonium
Triethyloxonium borofluoride
Meerwein's reagent
Reagents, Meerwein's
NSC 176023
Et3OBF4
Identifiers:
SMILES:
CC[O+](CC)CC.F[B-](F)(F)F
InChI:
InChI=1S/C6H15O.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1
Key Properties
Melting Point
92 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
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 | |
| 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 |
| LogP | 2.8984000000000014 | RDKit |
| Molar Refractivity | 42.89400000000002 | RDKit |
