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Molecule
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 Mass
- 104.84300000000002 g/mol
Identifiers
CAS Registry Number
13826-83-0
SMILES
F[B-](F)(F)F.[NH4+]
InChI Key
PDTKOBRZPAIMRD-UHFFFAOYSA-O
InChI
InChI=1S/BF4.H3N/c2-1(3,4)5;/h;1H3/q-1;/p+1
Names and Synonyms
- Ammonium Tetrafluoroborate Synonym
- Borate(1-), tetrafluoro-, ammonium (1:1) Synonym
- Borate(1-), tetrafluoro-, ammonium Synonym
- Ammonium fluoborate Synonym
- Ammonium tetrafluoroborate Synonym
- Ammonium fluoroborate Synonym
- Ammonium tetrafluoroborate(1-) Synonym
- Ammonium fluoroborate (NH4BF4) Synonym
- Ammonium tetrafluoroborate (NH4BF4) Synonym
- Ammonium borofluoride (NH4BF4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.87 g/cm³ | CAS Common Chemistry |
| 1.871 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_tetrafluoroborate | CAS Common Chemistry |
| Canonical SMILES | [F-][B+3]([F-])([F-])[F-].[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/BF4.H3N/c2-1(3,4)5;/h;1H3/q-1;/p+1 | CAS Common Chemistry |
| InChI Key | InChIKey=PDTKOBRZPAIMRD-UHFFFAOYSA-O | CAS Common Chemistry |
| Melting Point | 230 °C | CAS Common Chemistry |
| Name | Ammonium tetrafluoroborate | CAS Common Chemistry |
| Molecular Mass | 104.84300000000002 g/mol | RDKit |
| 105.037292408 g/mol | RDKit | |
| 104.843 g/mol | RDKit | |
| 104.841 g/mol | chempirical lib | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.5 Ų | RDKit |
| LogP | 1.6762 | RDKit |
| 1.66 | chempirical lib | |
| Molar Refractivity | 16.170800000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 104.84 g/mol | CAS Common Chemistry |
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 = 104.84 g/mol; density = 1.870 g/mL. Edit any field — others recompute live.
