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Sodium Hexanitritocobaltate(Iii)
CAS: 13600-98-1 | H6CoN6Na3O12+6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13600-98-1
Molecular Formula:
H6CoN6Na3O12+6
Molecular Mass:
409.98 g/mol
Names and Synonyms:
Sodium Hexanitritocobaltate(Iii)
Cobaltate(3-), hexakis(nitrito-κN)-, sodium (1:3), (OC-6-11)-
Cobaltate(3-), hexanitro-, trisodium
Cobaltate(3-), hexakis(nitrito-N)-, trisodium, (OC-6-11)-
Sodium hexanitrocobaltate(III)
Sodium nitrocobaltate(III)
Cobaltate(3-), hexakis(nitrito-κN)-, trisodium, (OC-6-11)-
Sodium cobaltinitrite (Na3[Co(NO2)6])
Sodium nitrocobaltate(III) (Na3[Co(NO2)6])
Sodium cobaltinitrite
Trisodium hexanitrocobaltate(3-)
Trisodium hexanitritocobaltate
Trisodium hexanitritocobaltate(3-)
Sodium hexanitrocobaltate [Na3[Co(NO2)6]]
Trisodium hexanitrocobaltate
Sodium hexanitrocobaltate
Trisodium hexakis(nitro-N)cobaltate(3-)
Identifiers:
SMILES:
[Co+3].[Na+].[Na+].[Na+].[O-]N=[OH+].[O-]N=[OH+].[O-]N=[OH+].[O-]N=[OH+].[O-]N=[OH+].[O-]N=[OH+]
InChI:
InChI=1S/Co.6NO2.3Na/c;6*2-1-3;;;/q+3;6*-1;3*+1
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 | 409.98 g/mol | CAS Common Chemistry |
| 409.9810000000001 g/mol | RDKit | |
| 409.9035809925399 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_hexanitritocobaltate(III) | CAS Common Chemistry |
| Canonical SMILES | [Na+].O=[N-](=O)[Co+3]([N-](=O)=O)([N-](=O)=O)([N-](=O)=O)([N-](=O)=O)[N-](=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/Co.6NO2.3Na/c;6*2-1-3;;;/q+3;6*-1;3*+1 | CAS Common Chemistry |
| InChI Key | InChIKey=SUICPKKSSSIMHN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trisodium hexanitrocobaltate | CAS Common Chemistry |
| Sodium hexanitritocobaltate(III) | CAS Common Chemistry | |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 340.91999999999996 Ų | RDKit |
| LogP | -8.7487 | RDKit |
| Molar Refractivity | 46.384800000000006 | RDKit |
