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Copper(Ii) Hexacyanoferrate
CAS: 13601-13-3 | C6Cu2FeN6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13601-13-3
Molecular Formula:
C6Cu2FeN6
Molecular Mass:
339.04 g/mol
Names and Synonyms:
Copper(Ii) Hexacyanoferrate
Ferrate(4-), hexakis(cyano-κC)-, copper(2+) (1:2), (OC-6-11)-
Ferrate(4-), hexacyano-, dicopper(2+)
Ferrate(4-), hexakis(cyano-C)-, copper(2+) (1:2), (OC-6-11)-
Copper ferrocyanide
Copper ferrocyanide (Cu2[Fe(CN)6])
Dicopper(2+) hexacyanoferrate(4-)
Dicopper hexacyanoferrate(4-)
Cupric ferrocyanate
Cupric ferrocyanide
Dicopper hexacyanoferrate
Copper(2+) hexacyanoferrate(4-) (2:1)
Hatchett's brown
Cupric hexacyanoferrate(4-)
Copper iron cyanide (Cu2Fe(CN)6)
Copper(II) hexacyanoferrate(II)
Copper(II) hexacyanoferrate
Copper(II) ferrocyanide
Copper iron cyanide (CuFe0.5(CN)3)
Identifiers:
SMILES:
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu+2].[Cu+2].[Fe+2]
InChI:
InChI=1S/6CN.2Cu.Fe/c6*1-2;;;/q6*-1;3*+2
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 | 339.04 g/mol | CAS Common Chemistry |
| 339.04499999999996 g/mol | RDKit | |
| 337.8125765 g/mol | RDKit | |
| Canonical SMILES | [Cu+2].N#[C-][Fe+2]([C-]#N)([C-]#N)([C-]#N)([C-]#N)[C-]#N | CAS Common Chemistry |
| InChI | InChI=1S/6CN.2Cu.Fe/c6*1-2;;;/q6*-1;3*+2 | CAS Common Chemistry |
| InChI Key | InChIKey=JGWCIFGWLIVWQZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Copper(II) hexacyanoferrate | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 0.57072 | RDKit |
| Molar Refractivity | 29.808 | RDKit |
