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Diphenylphosphoryl Azide
CAS: 26386-88-9 | C12H10N3O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26386-88-9
Molecular Formula:
C12H10N3O3P
Molecular Mass:
275.20 g/mol
Names and Synonyms:
Diphenylphosphoryl Azide
O,O-Diphenylphosphoryl azide
Phosphorazidic acid, diphenyl ester
Diphenylphosphoryl azide
Diphenyl phosphorazidate
Diphenylphosphorazide
Diphenyl azidophosphate
DPPA
Azidodiphenoxyoxophosphorane
Phosphoric acid diphenyl ester azide
[Azido(phenoxy)phosphoryl]oxybenzene
Identifiers:
SMILES:
[N-]=[N+]=NP(=O)(Oc1ccccc1)Oc1ccccc1
InChI:
InChI=1S/C12H10N3O3P/c13-14-15-19(16,17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10H
Key Properties
Boiling Point
157 °C @ Press: 0.17 Torr
CAS Common Chemistry
Density
1.28 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 | 275.20 g/mol | CAS Common Chemistry |
| 275.204 g/mol | RDKit | |
| 275.04597781 g/mol | RDKit | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.277 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylphosphoryl_azide | CAS Common Chemistry |
| Boiling Point | 157 °C @ Press: 0.17 Torr | CAS Common Chemistry |
| Canonical SMILES | [N-]=[N+]=NP(=O)(OC=1C=CC=CC1)OC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10N3O3P/c13-14-15-19(16,17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=SORGEQQSQGNZFI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diphenylphosphoryl azide | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 84.29000000000002 Ų | RDKit |
| LogP | 4.562800000000003 | RDKit |
| Molar Refractivity | 70.89250000000004 | RDKit |
