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Molecule
Potassium Tetrakis(4-Chlorophenyl)Borate
CAS: 14680-77-4 · C24H16BCl4K
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14680-77-4
- Molecular Formula
- C24H16BCl4K
- Molecular Mass
- 496.11 g/mol
Identifiers
CAS Registry Number
14680-77-4
SMILES
Clc1ccc([B-](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.[K+]
InChI Key
SAGICZRAKJSWLD-UHFFFAOYSA-N
InChI
InChI=1S/C24H16BCl4.K/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;/h1-16H;/q-1;+1
Names and Synonyms
- Potassium Tetrakis(4-Chlorophenyl)Borate Common Name
- Borate(1-), tetrakis(4-chlorophenyl)-, potassium Synonym
- Borate(1-), tetrakis(4-chlorophenyl)-, potassium (1:1) Synonym
- Potassium tetrakis(p-chlorophenyl)borate Synonym
- Benzene, chloro-, boron complex Synonym
- Potassium tetrakis(p-chlorophenyl)borate(1-) Synonym
- Potassium tetra(p-chlorophenyl)borate Synonym
- Potassium tetrakis(4-chlorophenyl)borate Synonym
- Potassium tetrakis(4-chlorophenyl)borate(1-) Synonym
- Tetrakis(4-chlorophenyl)borate, potassium salt Synonym
- Potassium tetra(4-chlorophenyl)borate Synonym
- KTpC 1PB Synonym
- Potassium tetrakis(4-chloropheynl)borate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 496.11 g/mol | CAS Common Chemistry |
| 496.1140000000001 g/mol | RDKit | |
| 496.114 g/mol | RDKit | |
| 498.116 g/mol | chempirical lib | |
| Canonical SMILES | [K+].ClC1=CC=[C-](C=C1)[B+3]([C-]2=CC=C(Cl)C=C2)([C-]3=CC=C(Cl)C=C3)[C-]4=CC=C(Cl)C=C4 | CAS Common Chemistry |
| InChI | InChI=1S/C24H16BCl4.K/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;/h1-16H;/q-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=SAGICZRAKJSWLD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium tetrakis(4-chlorophenyl)borate | CAS Common Chemistry |
| Heavy Atom Count | 30 | 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 | 2.681600000000002 | RDKit |
| 2.6816 | RDKit | |
| Molar Refractivity | 130.09799999999998 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 493.97362331200003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 496.11 g/mol. Edit any field — others recompute live.
