Back to Search
Trimethyloxonium Tetrafluoroborate
CAS: 420-37-1 | C3H9BF4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
420-37-1
Molecular Formula:
C3H9BF4O
Molecular Mass:
147.91 g/mol
Names and Synonyms:
Trimethyloxonium Tetrafluoroborate
Oxonium, trimethyl-, tetrafluoroborate(1-) (1:1)
Oxonium, trimethyl-, tetrafluoroborate(1-)
Trimethyloxonium tetrafluoroborate
Trimethyloxonium fluoborate
Borate(1-), tetrafluoro-, trimethyloxonium
Trimethyloxonium fluoroborate
Trimethyloxonium tetrafluoroborate(1-)
NSC 528455
Identifiers:
SMILES:
C[O+](C)C.F[B-](F)(F)F
InChI:
InChI=1S/C3H9O.BF4/c1-4(2)3;2-1(3,4)5/h1-3H3;/q+1;-1
Key Properties
Melting Point
124.5 °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 | 147.91 g/mol | CAS Common Chemistry |
| 147.908 g/mol | RDKit | |
| 148.068258188 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethyloxonium_tetrafluoroborate | CAS Common Chemistry |
| Canonical SMILES | [F-][B+3]([F-])([F-])[F-].[O+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H9O.BF4/c1-4(2)3;2-1(3,4)5/h1-3H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=CZVZBKHWOFJNCR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 124.5 °C (decomp) | CAS Common Chemistry |
| Name | Trimethyloxonium tetrafluoroborate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 2.700000000000001 Ų | RDKit |
| LogP | 1.7281000000000002 | RDKit |
| Molar Refractivity | 29.042999999999992 | RDKit |
