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Molecule
Prussian Blue
CAS: 14038-43-8 · C6Fe2N6-
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14038-43-8
- Molecular Formula
- C6Fe2N6-
- Molecular Mass
- 267.80 g/mol
Identifiers
CAS Registry Number
14038-43-8
SMILES
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+3]
InChI Key
YFYLWZGFVNBLOL-UHFFFAOYSA-N
InChI
InChI=1S/6CN.2Fe/c6*1-2;;/q6*-1;+2;+3
Names and Synonyms
- Prussian Blue Common Name
- Ferrate(4-), hexakis(cyano-κC)-, iron(3+) (3:4), (OC-6-11)- Synonym
- Ferrate(4-), hexacyano-, iron(3+) (3:4) Synonym
- Ferrate(4-), hexakis(cyano-C)-, iron(3+) (3:4), (OC-6-11)- Synonym
- Iron ferrocyanide (Fe4[Fe(CN)6]3) Synonym
- Ferric ferrocyanide Synonym
- Ferrihexacyanoferrate Synonym
- Iron(III) ferrocyanide Synonym
- Prussian blue [Fe4[Fe(CN)6]3] Synonym
- Ferric hexacyanoferrate (II) Synonym
- Tetrairon(3+) tris[hexacyanoferrate(4-)] Synonym
- Ferrate(1-), hexakis(cyano-C)di- Synonym
- Tetrairon tris(hexacyanoferrate) Synonym
- Iron(3+) ferrocyanide Synonym
- Milori blue Synonym
- Ferric ferrocyanide (Fe4[Fe(CN)6]3) Synonym
- Ferrotsin Synonym
- Ferrocin Synonym
- Iron(3+) hexacyanoferrate(4-) (4:3) Synonym
- Iron ferrocyanide Synonym
- Tetrairon tris(hexacyanoferrate(4-)) Synonym
- NSC 8665 Synonym
- Antidotum-Thallii-Heyl Synonym
- Prussian blue insoluble Synonym
- Radiogardase Cs Synonym
- Prussian blue Synonym
- Ferric hexacyanoferrate Synonym
- CI 77510 Blue Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.80 g/mol | CAS Common Chemistry |
| 267.88886757990997 g/mol | RDKit | |
| 267.798 g/mol | RDKit | |
| 276.87 g/mol | chempirical lib | |
| 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 |
| 142.74 Ų | RDKit | |
| LogP | 0.57322 | RDKit |
| 0.5732 | RDKit | |
| Molar Refractivity | 29.808 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -1 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 267.798 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
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MW = 267.80 g/mol; density = 1.800 g/mL. Edit any field — others recompute live.
