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Molecule
Aluminium Dihydrogenphosphate
CAS: 13530-50-2 · H3AlO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13530-50-2
- Molecular Formula
- H3AlO4P
- Molecular Mass
- 124.98 g/mol
Identifiers
CAS Registry Number
13530-50-2
SMILES
O=P(O)(O)O.[Al]
InChI Key
VGCXJFJOOIQMHR-UHFFFAOYSA-N
InChI
InChI=1S/Al.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
Names and Synonyms
- Aluminium Dihydrogenphosphate Common Name
- Phosphoric acid, aluminum salt (3:1) Synonym
- Aluminum phosphate (Al(H2PO4)3) Synonym
- Aluminum dihydrogen phosphate Synonym
- Aluminum hydrogen phosphate (AlH6(PO4)3) Synonym
- Aluminum primary phosphate Synonym
- Primary aluminum phosphate Synonym
- Aluminum dihydrogen orthophosphate Synonym
- Aluminum tris(orthophosphate) Synonym
- Aluminum tris(dihydrogen phosphate) Synonym
- Aluminum dihydrophosphate (Al(H2PO4)3) Synonym
- Monoaluminum dihydrogen phosphate Synonym
- Aluminum triorthophosphate Synonym
- Aluminum trisphosphate Synonym
- Aluminum phosphate (1:3) Synonym
- Dihydrogen aluminum phosphate Synonym
- Aluminum dihydrophosphate Synonym
- Aluminum dihydrogen phosphate (Al(H2PO4)3) Synonym
- Aluminum hydrogen phosphate (Al(H2PO4)3) Synonym
- Monophix A Synonym
- FFB 32i Synonym
- 100L (phosphate) Synonym
- 100L Synonym
- 100P Synonym
- ZT-II Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.98 g/mol | CAS Common Chemistry |
| 124.97599999999998 g/mol | RDKit | |
| 124.976 g/mol | RDKit | |
| 128.0 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aluminium_dihydrogenphosphate | CAS Common Chemistry |
| Canonical SMILES | [Al].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Al.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=VGCXJFJOOIQMHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum dihydrogen phosphate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -1.3094000000000001 | RDKit |
| -1.3094 | RDKit | |
| Molar Refractivity | 20.0169 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 124.95843383600001 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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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.
External Resources
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MW = 124.98 g/mol. Edit any field — others recompute live.
