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Molecule
1,2-Bis(Diphenylphosphino)Ethane
CAS: 1663-45-2 · C26H24P2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1663-45-2
- Molecular Formula
- C26H24P2
- Molecular Mass
- 398.43 g/mol
Identifiers
CAS Registry Number
1663-45-2
SMILES
c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChI Key
QFMZQPDHXULLKC-UHFFFAOYSA-N
InChI
InChI=1S/C26H24P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
Names and Synonyms
- 1,2-Bis(Diphenylphosphino)Ethane Systematic Name
- Phosphine, 1,1′-(1,2-ethanediyl)bis[1,1-diphenyl- Synonym
- Phosphine, ethylenebis[diphenyl- Synonym
- Phosphine, 1,2-ethanediylbis[diphenyl- Synonym
- 1,1′-(1,2-Ethanediyl)bis[1,1-diphenylphosphine] Synonym
- 1,2-Bis(diphenylphosphino)ethane Synonym
- Ethylenebis(diphenylphosphine) Synonym
- P,P′-Ethylenebis(diphenylphosphine) Synonym
- Bis(diphenylphosphino)ethane Synonym
- Diphos Synonym
- 1,2-Ethanediylbis(diphenylphosphine) Synonym
- Ethanediylbis(diphenylphosphine) Synonym
- DPPE Synonym
- 1,2-Ethylenebis(diphenylphosphine) Synonym
- DPPE (ligand) Synonym
- NSC 76285 Synonym
- DPE Synonym
- 1,2-Bis(diphenylphosphanyl)ethane Synonym
- [2-(Diphenylphosphanyl)ethyl]diphenylphosphane Synonym
- B 1137 Synonym
- 2-Diphenylphosphanylethyl(diphenyl)phosphane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 398.43 g/mol | CAS Common Chemistry |
| 398.4260000000001 g/mol | RDKit | |
| 398.426 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,2-Bis(diphenylphosphino)ethane | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)CCP(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C26H24P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QFMZQPDHXULLKC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 142-143 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | 1,2-Bis(diphenylphosphino)ethane | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.252200000000004 | RDKit |
| 5.2522 | RDKit | |
| Molar Refractivity | 127.87800000000001 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 398.135324028 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 398.43 g/mol. Edit any field — others recompute live.
