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Molecule
Calcium Tetrafluoroborate
CAS: 15978-68-4 · BCaF4+
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15978-68-4
- Molecular Formula
- BCaF4+
- Molecular Mass
- 126.88200000000002 g/mol
Identifiers
CAS Registry Number
15978-68-4
SMILES
F[B-](F)(F)F.[Ca+2]
InChI Key
ZMNBUHGLQXMNBX-UHFFFAOYSA-N
InChI
InChI=1S/BF4.Ca/c2-1(3,4)5;/q-1;+2
Names and Synonyms
- Calcium Tetrafluoroborate Synonym
- Calcium fluoroborate Synonym
- Calcium fluoroborate (Ca(BF4)2) Synonym
- Borate(1-), tetrafluoro-, calcium (2:1) Synonym
- Borate(1-), tetrafluoro-, calcium Synonym
- Calcium tetrafluoroborate Synonym
- Calcium fluoborate Synonym
- Calcium tetrafluoroborate (Ca(BF4)2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [Ca+2].[F-][B+3]([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/BF4.Ca/c2-1(3,4)5;/q-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZMNBUHGLQXMNBX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Calcium tetrafluoroborate | CAS Common Chemistry |
| Molecular Mass | 126.88200000000002 g/mol | RDKit |
| 126.96496068009 g/mol | RDKit | |
| 126.882 g/mol | RDKit | |
| 130.912 g/mol | chempirical lib | |
| Heavy Atom Count | 6 | 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 | 0.9192 | RDKit |
| Molar Refractivity | 15.940000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 1 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 126.88 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 126.88 g/mol. Edit any field — others recompute live.
