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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
Names and Synonyms:
1,2-Bis(Diphenylphosphino)Ethane
Phosphine, 1,1′-(1,2-ethanediyl)bis[1,1-diphenyl-
Phosphine, ethylenebis[diphenyl-
Phosphine, 1,2-ethanediylbis[diphenyl-
1,1′-(1,2-Ethanediyl)bis[1,1-diphenylphosphine]
1,2-Bis(diphenylphosphino)ethane
Ethylenebis(diphenylphosphine)
P,P′-Ethylenebis(diphenylphosphine)
Bis(diphenylphosphino)ethane
Diphos
1,2-Ethanediylbis(diphenylphosphine)
Ethanediylbis(diphenylphosphine)
DPPE
1,2-Ethylenebis(diphenylphosphine)
DPPE (ligand)
NSC 76285
DPE
1,2-Bis(diphenylphosphanyl)ethane
[2-(Diphenylphosphanyl)ethyl]diphenylphosphane
B 1137
2-Diphenylphosphanylethyl(diphenyl)phosphane
Identifiers:
SMILES:
c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
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
Key Properties
Melting Point
142-143 °C @ Solvent: Methanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 | 398.43 g/mol | CAS Common Chemistry |
| 398.4260000000001 g/mol | RDKit | |
| 398.135324028 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 |
| Molar Refractivity | 127.87800000000001 | RDKit |
