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1,3-Bis(Diphenylphosphino)Propane
CAS: 6737-42-4 | C27H26P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6737-42-4
Molecular Formula:
C27H26P2
Molecular Mass:
412.45 g/mol
Names and Synonyms:
1,3-Bis(Diphenylphosphino)Propane
Phosphine, 1,1′-(1,3-propanediyl)bis[1,1-diphenyl-
Phosphine, trimethylenebis[diphenyl-
Phosphine, 1,3-propanediylbis[diphenyl-
1,1′-(1,3-Propanediyl)bis[1,1-diphenylphosphine]
1,3-Bis(diphenylphosphino)propane
1,3-Propanediylbis[diphenylphosphine]
Trimethylenebis(diphenylphosphine)
1,3-DPPP
1,3-Bis(diphenylphosphine)propane
1,3-Propylenebis(diphenylphosphine)
DPPP
DPPP (phosphine derivative)
NSC 193753
1,3-Bis(diphenylphosphanyl)propane
3-Diphenylphosphanylpropyldiphenylphosphane
Identifiers:
SMILES:
c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2
Key Properties
Melting Point
61-62 °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 | 412.45 g/mol | CAS Common Chemistry |
| 412.4530000000001 g/mol | RDKit | |
| 412.150974092 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,3-Bis(diphenylphosphino)propane | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)CCCP(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LVEYOSJUKRVCCF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 61-62 °C | CAS Common Chemistry |
| Name | 1,3-Bis(diphenylphosphino)propane | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.642300000000004 | RDKit |
| Molar Refractivity | 132.49499999999995 | RDKit |
