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Molecule
Diphenylphosphoryl Azide
CAS: 26386-88-9 · C12H10N3O3P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 26386-88-9
- Molecular Formula
- C12H10N3O3P
- Molecular Mass
- 275.20 g/mol
Identifiers
CAS Registry Number
26386-88-9
SMILES
[N-]=[N+]=NP(=O)(Oc1ccccc1)Oc1ccccc1
InChI Key
SORGEQQSQGNZFI-UHFFFAOYSA-N
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
Names and Synonyms
- Diphenylphosphoryl Azide Synonym
- O,O-Diphenylphosphoryl azide Synonym
- Phosphorazidic acid, diphenyl ester Synonym
- Diphenylphosphoryl azide Synonym
- Diphenyl phosphorazidate Synonym
- Diphenylphosphorazide Synonym
- Diphenyl azidophosphate Synonym
- DPPA Synonym
- Azidodiphenoxyoxophosphorane Synonym
- Phosphoric acid diphenyl ester azide Synonym
- [Azido(phenoxy)phosphoryl]oxybenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 275.20 g/mol | CAS Common Chemistry |
| 275.204 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 |
| 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 |
| 84.29 Ų | RDKit | |
| LogP | 4.562800000000003 | RDKit |
| 4.5628 | RDKit | |
| Molar Refractivity | 70.89250000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 275.04597781 g/mol | RDKit |
| Boiling Point | 157 °C @ 0.17 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
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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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MW = 275.20 g/mol; density = 1.280 g/mL. Edit any field — others recompute live.
