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Tris(Acetylacetonato)Cobalt(Iii)
CAS: 21679-46-9 | C15H21CoO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
21679-46-9
Molecular Formula:
C15H21CoO6
Molecular Mass:
356.26 g/mol
Names and Synonyms:
Tris(Acetylacetonato)Cobalt(Iii)
Cobalt, tris(2,4-pentanedionato-κO2,κO4)-, (OC-6-11)-
Cobalt, tris(2,4-pentanedionato)-
Cobalt, tris(2,4-pentanedionato-O,O′)-, (OC-6-11)-
Cobalt, tris(2,4-pentanedionato-κO,κO′)-, (OC-6-11)-
(OC-6-11)-Tris(2,4-pentanedionato-κO2,κO4)cobalt
Cobalt triacetylacetonate
Cobalt tris(acetylacetonate)
Cobalt(III) acetylacetonate
Cobaltic acetylacetonate
Cobalt(3+) acetylacetonate
Tris(acetylacetonato)cobalt
Tris(2,4-pentanedionato)cobalt
Tris(acetylacetone)cobalt
Cobaltic trisacetylacetonate
Tris(acetylacetonato)cobalt(III)
Cobalt acetylacetonate
Cobalt triacetoacetate
Tris(acetoacetonato)cobalt
tris(Acetylacetonato)cobalt
NSC 43621
NSC 4653
Nacem Second Cobalt
Nacem Cobalt(III)
(±)-Cobalt(III) tris(acetylacetonate)
Identifiers:
SMILES:
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Co+3]
InChI:
InChI=1S/3C5H7O2.Co/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;/q3*-1;+3
Key Properties
Melting Point
209 °C
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 | 356.26 g/mol | CAS Common Chemistry |
| 356.26000000000005 g/mol | RDKit | |
| 356.067008392 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tris(acetylacetonato)cobalt(III) | CAS Common Chemistry |
| Canonical SMILES | O1=C([CH-]C(=O[Co+3]123(O=C([CH-]C(=O2)C)C)O=C([CH-]C(=O3)C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/3C5H7O2.Co/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;/q3*-1;+3 | CAS Common Chemistry |
| InChI Key | InChIKey=VACIXPOMJJIDBM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 209 °C | CAS Common Chemistry |
| Name | tris(Acetylacetonato)cobalt | CAS Common Chemistry |
| Tris(acetylacetonato)cobalt(III) | CAS Common Chemistry | |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 102.41999999999999 Ų | RDKit |
| LogP | 1.1035700000000002 | RDKit |
| Molar Refractivity | 76.98600000000003 | RDKit |
