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Diethylphenylphosphine
CAS: 1605-53-4 | C10H15P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1605-53-4
Molecular Formula:
C10H15P
Molecular Mass:
166.20 g/mol
Names and Synonyms:
Diethylphenylphosphine
Phosphine, diethylphenyl-
Diethylphenylphosphine
Phenyldiethylphosphine
NSC 158475
Identifiers:
SMILES:
CCP(CC)c1ccccc1
InChI:
InChI=1S/C10H15P/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
Key Properties
Boiling Point
100-121 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
45 °C
CAS Common Chemistry
Density
0.94 g/cm³
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 | 166.20 g/mol | CAS Common Chemistry |
| 166.204 g/mol | RDKit | |
| 166.09113711 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9445 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 100-121 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)P(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H15P/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LVTCZSBUROAWTE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45 °C | CAS Common Chemistry |
| Name | Diethylphenylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.8336000000000015 | RDKit |
| Molar Refractivity | 54.07800000000004 | RDKit |
