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Bis(Hexafluoroacetylacetonato)Palladium
CAS: 64916-48-9 | C10H2F12O4Pd
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
64916-48-9
Molecular Formula:
C10H2F12O4Pd
Molecular Mass:
520.52 g/mol
Names and Synonyms:
Bis(Hexafluoroacetylacetonato)Palladium
Palladium, bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κO2,κO4)-, (SP-4-1)-
Palladium, bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O,O′)-, (SP-4-1)-
2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-, palladium deriv.
Palladium, bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κO,κO′)-, (SP-4-1)-
(SP-4-1)-Bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κO2,κO4)palladium
Palladium bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionate)
Bis(hexafluoroacetylacetonato)palladium
Palladium bis(hexafluoroacetylacetonate)
Bis(1,1,1,5,5,5-hexafluoroacetylacetonato)palladium
Bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)palladium
Palladium (II) hexafluoroacetylacetonate
Hexafluoroacetylacetonato palladium(II)
Pd(II) hexafluoroacetylacetonate
Identifiers:
SMILES:
O=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.O=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.[Pd+2]
InChI:
InChI=1S/2C5HF6O2.Pd/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1H;/q2*-1;+2
Key Properties
Melting Point
95 °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 | 520.52 g/mol | CAS Common Chemistry |
| 520.518 g/mol | RDKit | |
| 519.879633184 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C1=O[Pd+2]2(O=C([CH-]1)C(F)(F)F)O=C([CH-]C(=O2)C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/2C5HF6O2.Pd/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1H;/q2*-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=XKXMXENXRHYOQQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95 °C | CAS Common Chemistry |
| Name | Bis(hexafluoroacetylacetonato)palladium | CAS Common Chemistry |
| Heavy Atom Count | 27 | 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 | 2.9044800000000004 | RDKit |
| Molar Refractivity | 52.84799999999999 | RDKit |
