Back to Search
Molecule
(Sp-4-2)-Carbonyl(2,4-Pentanedionato-Κo2,Κo4)(Triphenylphosphine)Rhodium
CAS: 25470-96-6 · C24H22O3PRh
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 25470-96-6
- Molecular Formula
- C24H22O3PRh
- Molecular Mass
- 492.32 g/mol
Identifiers
CAS Registry Number
25470-96-6
SMILES
CC(=O)[CH-]C(C)=O.[C-]#[O+].[Rh+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChI Key
SKPFMLWLXCIRHL-UHFFFAOYSA-N
InChI
InChI=1S/C18H15P.C5H7O2.CO.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)3-5(2)7;1-2;/h1-15H;3H,1-2H3;;/q;-1;;+1
Names and Synonyms
- (Sp-4-2)-Carbonyl(2,4-Pentanedionato-Κo2,Κo4)(Triphenylphosphine)Rhodium Synonym
- Rhodium, carbonyl(2,4-pentanedionato-κO2,κO4)(triphenylphosphine)-, (SP-4-2)- Synonym
- Rhodium, carbonyl(2,4-pentanedionato)(triphenylphosphine)- Synonym
- Rhodium, carbonyl(2,4-pentanedionato-O,O′)(triphenylphosphine)-, (SP-4-2)- Synonym
- Rhodium, (2,4-pentanedionato)carbonyl(triphenylphosphine)- Synonym
- Rhodium, carbonyl(2,4-pentanedionato-κO,κO′)(triphenylphosphine)-, (SP-4-2)- Synonym
- (SP-4-2)-Carbonyl(2,4-pentanedionato-κO2,κO4)(triphenylphosphine)rhodium Synonym
- Carbonyl(2,4-pentanedionato)(triphenylphosphine)rhodium Synonym
- (Acetylacetonato)carbonyl(triphenylphosphine)rhodium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 492.32 g/mol | CAS Common Chemistry |
| 492.3170000000001 g/mol | RDKit | |
| 492.317 g/mol | RDKit | |
| 496.349 g/mol | chempirical lib | |
| Canonical SMILES | O#C[Rh+]1(O=C([CH-]C(=O1)C)C)[P](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15P.C5H7O2.CO.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)3-5(2)7;1-2;/h1-15H;3H,1-2H3;;/q;-1;;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=SKPFMLWLXCIRHL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (SP-4-2)-Carbonyl(2,4-pentanedionato-κO2,κO4)(triphenylphosphine)rhodium | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 54.04 Ų | RDKit |
| 56.96 Ų | chempirical lib | |
| LogP | 3.773480000000003 | RDKit |
| 3.7735 | RDKit | |
| Molar Refractivity | 114.73950000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0833 | RDKit |
| Exact Mass | 492.036160194 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 492.32 g/mol. Edit any field — others recompute live.
