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Molecule
Potassium Ferrocyanide
CAS: 13943-58-3 · C6FeK4N6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13943-58-3
- Molecular Formula
- C6FeK4N6
- Molecular Mass
- 368.35 g/mol
Identifiers
CAS Registry Number
13943-58-3
SMILES
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[K+].[K+].[K+].[K+]
InChI Key
XOGGUFAVLNCTRS-UHFFFAOYSA-N
InChI
InChI=1S/6CN.Fe.4K/c6*1-2;;;;;/q6*-1;+2;4*+1
Names and Synonyms
- Potassium Ferrocyanide Common Name
- Ferrate(4-), hexakis(cyano-κC)-, potassium (1:4), (OC-6-11)- Synonym
- Ferrate(4-), hexacyano-, tetrapotassium Synonym
- Ferrate(4-), hexakis(cyano-C)-, tetrapotassium, (OC-6-11)- Synonym
- Ferrate(4-), hexakis(cyano-κC)-, tetrapotassium, (OC-6-11)- Synonym
- Potassium hexacyanoferrate(II) Synonym
- Tetrapotassium hexacyanoferrate Synonym
- Potassium ferrocyanate Synonym
- Tetrapotassium ferrocyanide Synonym
- Tetrapotassium hexacyanoferrate(4-) Synonym
- Potassium ferrocyanide Synonym
- Potassium ferrocyanide (K4Fe(CN)6) Synonym
- Tetrapotassium hexacyanoferrate(II) Synonym
- Potassium hexacyanoferrate (K4Fe(CN)6) Synonym
- Potassium hexacyanoferrate(4-) Synonym
- Iron potassium cyanide (FeK4(CN)6) Synonym
- ZJ 15 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.35 g/mol | CAS Common Chemistry |
| 368.345 g/mol | RDKit | |
| 380.441 g/mol | chempirical lib | |
| Density | 1.89 g/cm³ | CAS Common Chemistry |
| 1.886 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_ferrocyanide | CAS Common Chemistry |
| Boiling Point | 104.2 °C | CAS Common Chemistry |
| Canonical SMILES | [K+].N#[C-][Fe+2]([C-]#N)([C-]#N)([C-]#N)([C-]#N)[C-]#N | CAS Common Chemistry |
| InChI | InChI=1S/6CN.Fe.4K/c6*1-2;;;;;/q6*-1;+2;4*+1 | CAS Common Chemistry |
| InChI Key | InChIKey=XOGGUFAVLNCTRS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium ferrocyanide | CAS Common Chemistry |
| Heavy Atom Count | 17 | 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 |
| 142.74 Ų | RDKit | |
| LogP | -11.408280000000001 | RDKit |
| -11.4083 | RDKit | |
| Molar Refractivity | 29.808 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 367.80820822000004 g/mol | RDKit |
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 = 368.35 g/mol; density = 1.890 g/mL. Edit any field — others recompute live.
