Back to Search
Tripotassium Hexacyanocobaltate
CAS: 13963-58-1 | C6CoK3N6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13963-58-1
Molecular Formula:
C6CoK3N6
Molecular Mass:
332.34 g/mol
Names and Synonyms:
Tripotassium Hexacyanocobaltate
Cobaltate(3-), hexakis(cyano-κC)-, potassium (1:3), (OC-6-11)-
Cobaltate(3-), hexacyano-, tripotassium
Cobaltate(3-), hexakis(cyano-C)-, tripotassium, (OC-6-11)-
Potassium cyanocobaltate(III) (K3[Co(CN)6])
Cobaltate(3-), hexakis(cyano-κC)-, tripotassium, (OC-6-11)-
Potassium hexacyanocobaltate
Tripotassium hexacyanocobaltate(III)
Potassium cobalticyanide
Tripotassium hexacyanocobaltate(3-)
Potassium hexacyanocobaltate (K3Co(CN)6)
Potassium hexacyanocobaltate(III)
Tripotassium hexacyanocobaltate
Potassium hexacyanocobaltate(3-)
Cobalt potassium cyanide (CoK3(CN)6)
NSC 4316
K3[Co(CN)6]
Identifiers:
SMILES:
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Co+3].[K+].[K+].[K+]
InChI:
InChI=1S/6CN.Co.3K/c6*1-2;;;;/q6*-1;+3;3*+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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 332.34 g/mol | CAS Common Chemistry |
| 332.33500000000004 g/mol | RDKit | |
| 331.84275904 g/mol | RDKit | |
| Canonical SMILES | [K+].N#[C-][Co+3]([C-]#N)([C-]#N)([C-]#N)([C-]#N)[C-]#N | CAS Common Chemistry |
| InChI | InChI=1S/6CN.Co.3K/c6*1-2;;;;/q6*-1;+3;3*+1 | CAS Common Chemistry |
| InChI Key | InChIKey=LGRDAQPMSDIUQJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tripotassium hexacyanocobaltate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 142.73999999999998 Ų | RDKit |
| LogP | -8.41228 | RDKit |
| Molar Refractivity | 29.808 | RDKit |
