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Diphenylphosphite
CAS: 4712-55-4 | C12H11O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4712-55-4
Molecular Formula:
C12H11O3P
Molecular Mass:
234.19 g/mol
Names and Synonyms:
Diphenylphosphite
Phosphonic acid, diphenyl ester
Phenyl phosphonate ((PhO)2HPO)
Diphenyl phosphonate
Diphenoxyphosphine oxide
Diphenyl hydrogen phosphite
JP 260
Weston DPP
Doverphos 213
Diphenyl phosphite
NSC 43786
Identifiers:
SMILES:
O=[PH](Oc1ccccc1)Oc1ccccc1
InChI:
InChI=1S/C12H11O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,16H
Key Properties
Boiling Point
218-219 °C @ Press: 25 Torr
CAS Common Chemistry
Melting Point
12 °C
CAS Common Chemistry
Density
1.23 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 | 234.19 g/mol | CAS Common Chemistry |
| 234.191 g/mol | RDKit | |
| 234.04458084200002 g/mol | RDKit | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.2268 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylphosphite | CAS Common Chemistry |
| Boiling Point | 218-219 °C @ Press: 25 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(OC=1C=CC=CC1)OC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,16H | CAS Common Chemistry |
| InChI Key | InChIKey=OGBPILLJZSJJRC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 12 °C | CAS Common Chemistry |
| Name | Diphenyl phosphite | CAS Common Chemistry |
| Diphenylphosphite | CAS Common Chemistry | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 3.5341000000000014 | RDKit |
| Molar Refractivity | 63.141500000000036 | RDKit |
