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Bis(Diphenylphosphino)Methane
CAS: 2071-20-7 | C25H22P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2071-20-7
Molecular Formula:
C25H22P2
Molecular Mass:
384.40 g/mol
Names and Synonyms:
Bis(Diphenylphosphino)Methane
Phosphine, 1,1′-methylenebis[1,1-diphenyl-
Phosphine, methylenebis[diphenyl-
1,1′-Methylenebis[1,1-diphenylphosphine]
Methanediylbis[diphenylphosphine]
Bis(diphenylphosphino)methane
Methylenebis[diphenylphosphine]
Tetraphenylmethylenediphosphine
DPPM
DPPM (phosphine derivative)
NSC 147767
1,1-Bis(diphenylphosphino)methane
[(Diphenylphosphanyl)methyl]diphenylphosphane
Identifiers:
SMILES:
c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/C25H22P2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
Key Properties
Melting Point
159-161 °C @ Solvent: Cyclohexane
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
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40
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 384.40 g/mol | CAS Common Chemistry |
| 384.3990000000001 g/mol | RDKit | |
| 384.119673964 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(diphenylphosphino)methane | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)CP(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C25H22P2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XGCDBGRZEKYHNV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 159-161 °C @ Solvent: Cyclohexane | CAS Common Chemistry |
| Name | Bis(diphenylphosphino)methane | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.209700000000003 | RDKit |
| Molar Refractivity | 123.01100000000001 | RDKit |
