Back to Search
Molecule
Cobalt(Ii) Cyanide
CAS: 542-84-7 · C2CoN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 542-84-7
- Molecular Formula
- C2CoN2
- Molecular Mass
- 110.97 g/mol
Identifiers
CAS Registry Number
542-84-7
SMILES
[C]#N.[C]#N.[Co]
InChI Key
XAWSBNBFMQAZCE-UHFFFAOYSA-N
InChI
InChI=1S/2CN.Co/c2*1-2;
Names and Synonyms
- Cobalt(Ii) Cyanide Common Name
- Cobalt cyanide (Co(CN)2) Synonym
- Cobaltous cyanide Synonym
- Cobalt dicyanide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.97 g/mol | CAS Common Chemistry |
| 110.969 g/mol | RDKit | |
| 115.001 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cobalt(II)_cyanide | CAS Common Chemistry |
| Canonical SMILES | N#C[Co]C#N | CAS Common Chemistry |
| InChI | InChI=1S/2CN.Co/c2*1-2; | CAS Common Chemistry |
| InChI Key | InChIKey=XAWSBNBFMQAZCE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cobalt cyanide (Co(CN)2) | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.58 Ų | RDKit |
| LogP | 0.19024 | RDKit |
| 0.1902 | RDKit | |
| Molar Refractivity | 9.936 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 110.939343 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
Convert
Quick conversion
MW = 110.97 g/mol. Edit any field — others recompute live.
