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Molecule
Hydrotetrakis(Triphenylphosphine)Rhodium
CAS: 18284-36-1 · C72H61P4Rh
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18284-36-1
- Molecular Formula
- C72H61P4Rh
- Molecular Mass
- 1153.08 g/mol
Identifiers
CAS Registry Number
18284-36-1
SMILES
[H].[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChI Key
QTTJMGBPWXLZKV-UHFFFAOYSA-N
InChI
InChI=1S/4C18H15P.Rh.H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4*1-15H;;
Names and Synonyms
- Hydrotetrakis(Triphenylphosphine)Rhodium Common Name
- Rhodium, hydrotetrakis(triphenylphosphine)- Synonym
- Hydrotetrakis(triphenylphosphine)rhodium Synonym
- Hydrogen tetrakis(triphenyl phosphine)rhodium Synonym
- Hydridotetrakis(triphenylphosphine)rhodium Synonym
- Tetrakis(triphenylphosphine)rhodium hydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 1153.08 g/mol | CAS Common Chemistry |
| 1153.0820000000003 g/mol | RDKit | |
| 1153.082 g/mol | RDKit | |
| 1156.106 g/mol | chempirical lib | |
| Canonical SMILES | [H-][Rh+]([P](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)([P](C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6)([P](C=7C=CC=CC7)(C=8C=CC=CC8)C=9C=CC=CC9)[P](C=%10C=CC=CC%10)(C=%11C=CC=CC%11)C=%12C=CC=CC%12 | CAS Common Chemistry |
| InChI | InChI=1S/4C18H15P.Rh.H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4*1-15H;; | CAS Common Chemistry |
| InChI Key | InChIKey=QTTJMGBPWXLZKV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 100.5-101.5 °C @ Solvent: Hexane, Diethyl ether | CAS Common Chemistry |
| Name | Hydrotetrakis(triphenylphosphine)rhodium | CAS Common Chemistry |
| Heavy Atom Count | 77 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 12 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 13.889199999999978 | RDKit |
| 13.8892 | RDKit | |
| Molar Refractivity | 341.70400000000086 cm³/mol | RDKit |
| Ring Count | 12 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 1152.2778774720002 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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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 1153.08 g/mol. Edit any field — others recompute live.
