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Ammonium Tetrafluoroborate
CAS: 13826-83-0 | H4BF4N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13826-83-0
Molecular Formula:
H4BF4N
Molecular Weight:
104.84300000000002 g/mol
Names and Synonyms:
Ammonium Tetrafluoroborate
Borate(1-), tetrafluoro-, ammonium (1:1)
Borate(1-), tetrafluoro-, ammonium
Ammonium fluoborate
Ammonium tetrafluoroborate
Ammonium fluoroborate
Ammonium tetrafluoroborate(1-)
Ammonium fluoroborate (NH4BF4)
Ammonium tetrafluoroborate (NH4BF4)
Ammonium borofluoride (NH4BF4)
Identifiers:
SMILES:
F[B-](F)(F)F.[NH4+]
InChI:
InChI=1S/BF4.H3N/c2-1(3,4)5;/h;1H3/q-1;/p+1
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 104.84300000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 105.037292408 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 36.5 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.6762 | RDKit |
| molecular_mass | 104.84 g/mol | Legacy Database |
| density | 1.87 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_tetrafluoroborate None | Legacy Database |
| cas-canonical-smile | [F-][B+3]([F-])([F-])[F-].[NH4+] None | Legacy Database |
| cas-density | 1.871 g/cm3 @ Temp: 15 °C None | Legacy Database |
| cas-inchi | InChI=1S/BF4.H3N/c2-1(3,4)5;/h;1H3/q-1;/p+1 None | Legacy Database |
| cas-inchi-key | InChIKey=PDTKOBRZPAIMRD-UHFFFAOYSA-O None | Legacy Database |
| cas-melting-point | 230 °C None | Legacy Database |
| cas-name | Ammonium tetrafluoroborate None | Legacy Database |
| wikipedia-name | Ammonium tetrafluoroborate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.170800000000003 | RDKit |
