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Tetramethylammonium Tetrafluoroborate
CAS: 661-36-9 | C4H12BF4N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
661-36-9
Molecular Formula:
C4H12BF4N
Molecular Mass:
160.95 g/mol
Names and Synonyms:
Tetramethylammonium Tetrafluoroborate
Methanaminium, N,N,N-trimethyl-, tetrafluoroborate(1-) (1:1)
Ammonium, tetramethyl-, tetrafluoroborate(1-)
Methanaminium, N,N,N-trimethyl-, tetrafluoroborate(1-)
Tetramethylammonium fluoroborate
Ammonium compounds, substituted, tetramethyl-, tetrafluoroborate
Borate(1-), tetrafluoro-, tetramethylammonium
Borate(1-), tetrafluoro-, N,N,N-trimethylmethanaminium
Tetramethylammonium tetrafluoroborate
Tetramethylammonium tetrafluoroborate(1-)
[Me4N][BF4]
Identifiers:
SMILES:
C[N+](C)(C)C.F[B-](F)(F)F
InChI:
InChI=1S/C4H12N.BF4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1
Key Properties
Melting Point
310 °C
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 | 160.95 g/mol | CAS Common Chemistry |
| 160.951 g/mol | RDKit | |
| 161.09989266399998 g/mol | RDKit | |
| Canonical SMILES | [F-][B+3]([F-])([F-])[F-].C[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N.BF4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=XWFABLFRYCHILB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 310 °C | CAS Common Chemistry |
| Name | Tetramethylammonium tetrafluoroborate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.6224 | RDKit |
| Molar Refractivity | 34.142399999999995 | RDKit |
