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Iron(Iii) Phosphate
CAS: 10045-86-0 | H3FeO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10045-86-0
Molecular Formula:
H3FeO4P
Molecular Weight:
153.839 g/mol
Names and Synonyms:
Iron(Iii) Phosphate
Ferramol
Sluggo
Escargo!
Iron phosphate (FePO4)
Ferric phosphate
Iron orthophosphate
Iron(III) phosphate
Iron phosphate
Ferric orthophosphate
Phosphoric acid, iron(3+) salt (1:1)
Identifiers:
SMILES:
O=P(O)(O)O.[Fe]
InChI:
InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 153.839 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.911832706 g/mol | RDKit |
| Heavy | Heavy Atom Count | 6 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 77.76 Ų | RDKit |
| Physical Properties | LogP | -0.9311 | RDKit |
| molecular_mass | 153.84 g/mol | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Iron(III)_phosphate | Legacy Database | |
| cas-canonical-smile | [Fe].O=P(O)(O)O | Legacy Database | |
| cas-inchi | InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) | Legacy Database | |
| cas-inchi-key | InChIKey=RFGNMWINQUUNKG-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 1000 °C | Legacy Database | |
| cas-name | Ferric phosphate | Legacy Database | |
| wikipedia-name | Iron(III) phosphate | Legacy Database | |
| Molar | Molar Refractivity | 14.262899999999998 | RDKit |
