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Nickel(Ii) Bis(Acetylacetonate)
CAS: 3264-82-2 | C10H14NiO4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
3264-82-2
Molecular Formula:
C10H14NiO4
Molecular Mass:
256.91 g/mol
Names and Synonyms:
Nickel(Ii) Bis(Acetylacetonate)
Nickel, bis(2,4-pentanedionato-κO2,κO4)-, (SP-4-1)-
Nickel, bis(2,4-pentanedionato)-
Nickel, bis(2,4-pentanedionato-O,O′)-, (SP-4-1)-
Nickel, bis(2,4-pentanedionato-κO,κO′)-, (SP-4-1)-
(SP-4-1)-Bis(2,4-pentanedionato-κO2,κO4)nickel
Nickel acetylacetonate
Nickel bis(acetylacetonate)
Nickel(II) acetylacetonate
Bis(acetylacetonato)nickel
Nickelous acetylacetonate
Bis(acetylacetonate)nickel
Bis(2,4-pentanedionato)nickel
Bis(acetylacetone)nickel
Nickel bis(2,4-pentanedionate)
Acetylacetonatonickel(II)
LC 5615
NSC 4657
Nacem Nickel
Nickel(II) acetoacetonate
Niax LC 5615
Ni(acac)2
Identifiers:
SMILES:
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Ni+2]
InChI:
InChI=1S/2C5H7O2.Ni/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
Key Properties
Boiling Point
227 °C
CAS Common Chemistry
Melting Point
229.5 °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 | 256.91 g/mol | CAS Common Chemistry |
| 256.911 g/mol | RDKit | |
| 256.024551828 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nickel(II)_bis(acetylacetonate) | CAS Common Chemistry |
| Boiling Point | 227 °C | CAS Common Chemistry |
| Canonical SMILES | O1=C([CH-]C(=O[Ni+2]12O=C([CH-]C(=O2)C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C5H7O2.Ni/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=JBIMTYQVAYCSRC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 229.5 °C | CAS Common Chemistry |
| Name | Bis(acetylacetonato)nickel | CAS Common Chemistry |
| Nickel(II) bis(acetylacetonate) | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 68.28 Ų | RDKit |
| LogP | 0.73488 | RDKit |
| Molar Refractivity | 51.32400000000003 | RDKit |
