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Molecule
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
Identifiers
CAS Registry Number
3264-82-2
SMILES
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Ni+2]
InChI Key
JBIMTYQVAYCSRC-UHFFFAOYSA-N
InChI
InChI=1S/2C5H7O2.Ni/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
Names and Synonyms
- Nickel(Ii) Bis(Acetylacetonate) Common Name
- Nickel, bis(2,4-pentanedionato-κO2,κO4)-, (SP-4-1)- Synonym
- Nickel, bis(2,4-pentanedionato)- Synonym
- Nickel, bis(2,4-pentanedionato-O,O′)-, (SP-4-1)- Synonym
- Nickel, bis(2,4-pentanedionato-κO,κO′)-, (SP-4-1)- Synonym
- (SP-4-1)-Bis(2,4-pentanedionato-κO2,κO4)nickel Synonym
- Nickel acetylacetonate Synonym
- Nickel bis(acetylacetonate) Synonym
- Nickel(II) acetylacetonate Synonym
- Bis(acetylacetonato)nickel Synonym
- Nickelous acetylacetonate Synonym
- Bis(acetylacetonate)nickel Synonym
- Bis(2,4-pentanedionato)nickel Synonym
- Bis(acetylacetone)nickel Synonym
- Nickel bis(2,4-pentanedionate) Synonym
- Acetylacetonatonickel(II) Synonym
- LC 5615 Synonym
- NSC 4657 Synonym
- Nacem Nickel Synonym
- Nickel(II) acetoacetonate Synonym
- Niax LC 5615 Synonym
- Ni(acac)2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.91 g/mol | CAS Common Chemistry |
| 256.911 g/mol | RDKit | |
| 260.943 g/mol | chempirical lib | |
| 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 |
| 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 |
| 0.7349 | RDKit | |
| Molar Refractivity | 51.32400000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 256.024551828 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 256.91 g/mol. Edit any field — others recompute live.
