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Molecule
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
Identifiers
CAS Registry Number
4712-55-4
SMILES
O=[PH](Oc1ccccc1)Oc1ccccc1
InChI Key
OGBPILLJZSJJRC-UHFFFAOYSA-N
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
Names and Synonyms
- Diphenylphosphite Synonym
- Phosphonic acid, diphenyl ester Synonym
- Phenyl phosphonate ((PhO)2HPO) Synonym
- Diphenyl phosphonate Synonym
- Diphenoxyphosphine oxide Synonym
- Diphenyl hydrogen phosphite Synonym
- JP 260 Synonym
- Weston DPP Synonym
- Doverphos 213 Synonym
- Diphenyl phosphite Synonym
- NSC 43786 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.19 g/mol | CAS Common Chemistry |
| 234.191 g/mol | RDKit | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.2268 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylphosphite | 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 |
| 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 |
| 3.5341 | RDKit | |
| Molar Refractivity | 63.141500000000036 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 234.04458084200002 g/mol | RDKit |
| Boiling Point | 218-219 °C @ 25 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
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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.
External Resources
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Quick conversion
MW = 234.19 g/mol; density = 1.230 g/mL. Edit any field — others recompute live.
