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1,2-Bis(Dicyclohexylphosphino)Ethane
CAS: 23743-26-2 | C26H48P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23743-26-2
Molecular Formula:
C26H48P2
Molecular Mass:
422.62 g/mol
Names and Synonyms:
1,2-Bis(Dicyclohexylphosphino)Ethane
Phosphine, 1,1′-(1,2-ethanediyl)bis[1,1-dicyclohexyl-
Phosphine, ethylenebis[dicyclohexyl-
Phosphine, 1,2-ethanediylbis[dicyclohexyl-
1,1′-(1,2-Ethanediyl)bis[1,1-dicyclohexylphosphine]
Ethylenebis(dicyclohexylphosphine)
1,2-Bis(dicyclohexylphosphino)ethane
1,2-Bis(dicyclohexylphosphanyl)ethane
Dcype
Identifiers:
SMILES:
C1CCC(P(CCP(C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1
InChI:
InChI=1S/C26H48P2/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/h23-26H,1-22H2
Key Properties
Melting Point
96-97 °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 | 422.62 g/mol | CAS Common Chemistry |
| 422.6180000000004 g/mol | RDKit | |
| 422.323124796 g/mol | RDKit | |
| 422.618 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,2-Bis(dicyclohexylphosphino)ethane | CAS Common Chemistry |
| Canonical SMILES | P(CCP(C1CCCCC1)C2CCCCC2)(C3CCCCC3)C4CCCCC4 | CAS Common Chemistry |
| InChI | InChI=1S/C26H48P2/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/h23-26H,1-22H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BOUYBUIVMHNXQB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96-97 °C | CAS Common Chemistry |
| Name | 1,2-Bis(dicyclohexylphosphino)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 | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| 27.18 Ų | chempirical lib | |
| LogP | 9.280999999999999 | RDKit |
| 9.281 | RDKit | |
| 10.24 | chempirical lib | |
| Molar Refractivity | 131.0660000000001 | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
