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Molecule
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
Identifiers
CAS Registry Number
2071-20-7
SMILES
c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChI Key
XGCDBGRZEKYHNV-UHFFFAOYSA-N
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
Names and Synonyms
- Bis(Diphenylphosphino)Methane Synonym
- Phosphine, 1,1′-methylenebis[1,1-diphenyl- Synonym
- Phosphine, methylenebis[diphenyl- Synonym
- 1,1′-Methylenebis[1,1-diphenylphosphine] Synonym
- Methanediylbis[diphenylphosphine] Synonym
- Bis(diphenylphosphino)methane Synonym
- Methylenebis[diphenylphosphine] Synonym
- Tetraphenylmethylenediphosphine Synonym
- DPPM Synonym
- DPPM (phosphine derivative) Synonym
- NSC 147767 Synonym
- 1,1-Bis(diphenylphosphino)methane Synonym
- [(Diphenylphosphanyl)methyl]diphenylphosphane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 384.40 g/mol | CAS Common Chemistry |
| 384.3990000000001 g/mol | RDKit | |
| 384.399 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 |
| 5.2097 | RDKit | |
| 5.56 | chempirical lib | |
| Molar Refractivity | 123.01100000000001 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.04 | RDKit |
| Exact Mass | 384.119673964 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 384.40 g/mol. Edit any field — others recompute live.
