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Molecule
Palladium(Ii) Bis(Acetylacetonate)
CAS: 14024-61-4 · C10H14O4Pd
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14024-61-4
- Molecular Formula
- C10H14O4Pd
- Molecular Mass
- 304.64 g/mol
Identifiers
CAS Registry Number
14024-61-4
SMILES
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Pd+2]
InChI Key
PLYDYQGKZLDFTI-UHFFFAOYSA-N
InChI
InChI=1S/2C5H7O2.Pd/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
Names and Synonyms
- Palladium(Ii) Bis(Acetylacetonate) Synonym
- Palladium, bis(2,4-pentanedionato-κO2,κO4)-, (SP-4-1)- Synonym
- Palladium, bis(2,4-pentanedionato)- Synonym
- Palladium, bis(2,4-pentanedionato-O,O′)-, (SP-4-1)- Synonym
- Palladium, bis(2,4-pentanedionato-κO,κO′)-, (SP-4-1)- Synonym
- (SP-4-1)-Bis(2,4-pentanedionato-κO2,κO4)palladium Synonym
- Palladium bis(acetylacetonate) Synonym
- Bis(2,4-pentanedionato)palladium Synonym
- Palladium(II) acetylacetonate Synonym
- Palladium bis(acetoacetonate) Synonym
- Bis(acetylacetonato)palladium Synonym
- Palladium bis(2,4-pentanedionate) Synonym
- Bis(acetylacetonato)palladium(II) Synonym
- Palladium acetylacetonate Synonym
- Bis(2,4-pentanedionato-κO,κO′)palladium Synonym
- NSC 187660 Synonym
- Pd (II) diacetylacetonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.64 g/mol | CAS Common Chemistry |
| 304.638 g/mol | RDKit | |
| 308.67 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Palladium(II)_bis(acetylacetonate) | CAS Common Chemistry |
| Canonical SMILES | O1=C([CH-]C(=O[Pd+2]12O=C([CH-]C(=O2)C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C5H7O2.Pd/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=PLYDYQGKZLDFTI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 205-210 °C (decomp) | CAS Common Chemistry |
| Name | Palladium acetylacetonate | CAS Common Chemistry |
| Palladium(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 |
| 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 | 303.992694928 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 304.64 g/mol. Edit any field — others recompute live.
