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Molecule
Aluminium Phosphide
CAS: 20859-73-8 · AlP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 20859-73-8
- Molecular Formula
- AlP
- Molecular Mass
- 57.96 g/mol
Identifiers
CAS Registry Number
20859-73-8
SMILES
[Al].[P]
InChI Key
PPNXXZIBFHTHDM-UHFFFAOYSA-N
InChI
InChI=1S/Al.P
Names and Synonyms
- Aluminium Phosphide Synonym
- Aluminum phosphide (AlP) Synonym
- Celphos Synonym
- Delicia Gastoxin Synonym
- Delicia Synonym
- Detia Gas Ex-B Synonym
- Phostoxin Synonym
- Aluminium phosphide (AlP) Synonym
- Aluminum monophosphide Synonym
- Detia-Ex-B Synonym
- Phostoxin A Synonym
- Gastion Synonym
- Phosfume Synonym
- Aluminum phosphide Synonym
- Epifume Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 57.96 g/mol | CAS Common Chemistry |
| 57.956 g/mol | RDKit | |
| Density | 2.85 g/cm³ | CAS Common Chemistry |
| 2.85 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aluminium_phosphide | CAS Common Chemistry |
| Canonical SMILES | [Al]#P | CAS Common Chemistry |
| InChI | InChI=1S/Al.P | CAS Common Chemistry |
| InChI Key | InChIKey=PPNXXZIBFHTHDM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2550 °C | CAS Common Chemistry |
| Name | Aluminum phosphide | CAS Common Chemistry |
| Aluminium phosphide | CAS Common Chemistry | |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.48039999999999994 | RDKit |
| 0.4804 | RDKit | |
| Molar Refractivity | 12.674 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 57.95530026 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
External Resources
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MW = 57.96 g/mol; density = 2.850 g/mL. Edit any field — others recompute live.
