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Molecule
Iron(Iii) Phosphate
CAS: 10045-86-0 · H3FeO4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10045-86-0
- Molecular Formula
- H3FeO4P
- Molecular Mass
- 153.84 g/mol
Identifiers
CAS Registry Number
10045-86-0
SMILES
O=P(O)(O)O.[Fe]
InChI Key
RFGNMWINQUUNKG-UHFFFAOYSA-N
InChI
InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
Names and Synonyms
- Iron(Iii) Phosphate Common Name
- Phosphoric acid, iron(3+) salt (1:1) Synonym
- Iron phosphate (FePO4) Synonym
- Ferric phosphate Synonym
- Ferric orthophosphate Synonym
- Iron phosphate Synonym
- Iron(III) phosphate Synonym
- Escargo! Synonym
- Sluggo Synonym
- Iron orthophosphate Synonym
- Ferramol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.84 g/mol | CAS Common Chemistry |
| 153.911832706 g/mol | RDKit | |
| 153.839 g/mol | RDKit | |
| 155.855 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iron(III)_phosphate | CAS Common Chemistry |
| Canonical SMILES | [Fe].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=RFGNMWINQUUNKG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1000 °C | CAS Common Chemistry |
| Name | Ferric 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 | -0.9311 | RDKit |
| Molar Refractivity | 14.262899999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 153.839 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 = 153.84 g/mol. Edit any field — others recompute live.
