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Molecule
Sodium Tetraphenylborate
CAS: 143-66-8 · C24H20BNa
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 143-66-8
- Molecular Formula
- C24H20BNa
- Molecular Mass
- 342.23 g/mol
Identifiers
CAS Registry Number
143-66-8
SMILES
[Na+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChI Key
HFSRCEJMTLMDLI-UHFFFAOYSA-N
InChI
InChI=1S/C24H20B.Na/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1
Names and Synonyms
- Sodium Tetraphenylborate Common Name
- Borate(1-), tetraphenyl-, sodium (1:1) Synonym
- Borate(1-), tetraphenyl-, sodium Synonym
- Sodium tetraphenylborate Synonym
- Sodium tetraphenylboron Synonym
- Kalignost Synonym
- Sodium tetraphenylborate(1-) Synonym
- Tetraphenyl boron sodium salt Synonym
- Sodium tetraphenylboride Synonym
- Tetraphenyl sodium borate Synonym
- Sodium tetraphenylboride(1-) Synonym
- Kalibor Synonym
- Sodium tetraphenylborate (NaPh4B) Synonym
- Kariporu K Synonym
- Sodium tetrakis(phenyl) borate Synonym
- HOK-Boron Na Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 342.23 g/mol | CAS Common Chemistry |
| 342.22600000000006 g/mol | RDKit | |
| 342.226 g/mol | RDKit | |
| 344.24 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_tetraphenylborate | CAS Common Chemistry |
| Canonical SMILES | [Na+].C=1C=C[C-](=CC1)[B+3]([C-]=2C=CC=CC2)([C-]=3C=CC=CC3)[C-]=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C24H20B.Na/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=HFSRCEJMTLMDLI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 175 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | Sodium tetraphenylborate | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.06800000000000384 | RDKit |
| 0.068 | RDKit | |
| Molar Refractivity | 110.05800000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 342.15557532 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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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 = 342.23 g/mol. Edit any field — others recompute live.
