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Ethyl P,P-Diphenylphosphinite
CAS: 719-80-2 | C14H15OP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
719-80-2
Molecular Formula:
C14H15OP
Molecular Mass:
230.25 g/mol
Names and Synonyms:
Ethyl P,P-Diphenylphosphinite
Phosphinous acid, P,P-diphenyl-, ethyl ester
Phosphinous acid, diphenyl-, ethyl ester
Ethyl P,P-diphenylphosphinite
Diphenylphosphinous acid ethyl ester
Ethoxydiphenylphosphine
Diphenylethoxyphosphine
Ethyl diphenylphosphinite
Identifiers:
SMILES:
CCOP(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H15OP/c1-2-15-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
Key Properties
Boiling Point
152 °C @ Press: 1.5 Torr
CAS Common Chemistry
Melting Point
164-167 °C @ Solvent: Heptane, Benzene
CAS Common Chemistry
Density
1.07 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 | 230.25 g/mol | CAS Common Chemistry |
| 230.247 g/mol | RDKit | |
| 230.08605172999998 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0716 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 152 °C @ Press: 1.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O(P(C=1C=CC=CC1)C=2C=CC=CC2)CC | CAS Common Chemistry |
| InChI | InChI=1S/C14H15OP/c1-2-15-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JCRCPEDXAHDCAJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 164-167 °C @ Solvent: Heptane, Benzene | CAS Common Chemistry |
| Name | Ethyl P,P-diphenylphosphinite | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 3.070800000000002 | RDKit |
| Molar Refractivity | 70.69800000000004 | RDKit |
