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Prussian Blue
CAS: 14038-43-8 | C6Fe2N6-
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14038-43-8
Molecular Formula:
C6Fe2N6-
Molecular Mass:
267.80 g/mol
Names and Synonyms:
Prussian Blue
Ferrate(4-), hexakis(cyano-κC)-, iron(3+) (3:4), (OC-6-11)-
Ferrate(4-), hexacyano-, iron(3+) (3:4)
Ferrate(4-), hexakis(cyano-C)-, iron(3+) (3:4), (OC-6-11)-
Iron ferrocyanide (Fe4[Fe(CN)6]3)
Ferric ferrocyanide
Ferrihexacyanoferrate
Iron(III) ferrocyanide
Prussian blue [Fe4[Fe(CN)6]3]
Ferric hexacyanoferrate (II)
Tetrairon(3+) tris[hexacyanoferrate(4-)]
Ferrate(1-), hexakis(cyano-C)di-
Tetrairon tris(hexacyanoferrate)
Iron(3+) ferrocyanide
Milori blue
Ferric ferrocyanide (Fe4[Fe(CN)6]3)
Ferrotsin
Ferrocin
Iron(3+) hexacyanoferrate(4-) (4:3)
Iron ferrocyanide
Tetrairon tris(hexacyanoferrate(4-))
NSC 8665
Antidotum-Thallii-Heyl
Prussian blue insoluble
Radiogardase Cs
Prussian blue
Ferric hexacyanoferrate
CI 77510 Blue
Identifiers:
SMILES:
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+3]
InChI:
InChI=1S/6CN.2Fe/c6*1-2;;/q6*-1;+2;+3
Key Properties
Density
1.80 g/cm³
CAS Common Chemistry
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 | 267.80 g/mol | CAS Common Chemistry |
| 267.798 g/mol | RDKit | |
| 267.88886757990997 g/mol | RDKit | |
| Density | 1.80 g/cm³ | CAS Common Chemistry |
| 1.80 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Prussian_blue | CAS Common Chemistry |
| Canonical SMILES | [Fe+3].N#[C-][Fe+2]([C-]#N)([C-]#N)([C-]#N)([C-]#N)[C-]#N | CAS Common Chemistry |
| InChI | InChI=1S/6CN.2Fe/c6*1-2;;/q6*-1;+2;+3 | CAS Common Chemistry |
| InChI Key | InChIKey=YFYLWZGFVNBLOL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ferric ferrocyanide | CAS Common Chemistry |
| Prussian blue | CAS Common Chemistry | |
| Heavy Atom Count | 14 | 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 | 0.57322 | RDKit |
| Molar Refractivity | 29.808 | RDKit |
