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Ammonium Iron(Iii) Sulfate
CAS: 10138-04-2 | H5FeNO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10138-04-2
Molecular Formula:
H5FeNO4S
Molecular Mass:
170.95 g/mol
Names and Synonyms:
Ammonium Iron(Iii) Sulfate
Sulfuric acid, ammonium iron(3+) salt (2:1:1)
Ammonium iron sulfate (NH4Fe(SO4)2)
Ammonium iron sulfate
Ferric ammonium sulfate
Ferriammonium sulfate
Ammonium ferric sulfate
Ammonium ferric sulfate (NH4Fe(SO4)2)
Ammonium iron disulfate
Monoammonium ferric disulfate
Iron ammonium disulfate
Ferric ammonium disulfate
Ammonium ferric alum
Ammonium iron bis(sulfate)
Ferric ammonium alum
Ammonium ferric disulfate
Identifiers:
SMILES:
N.O=S(=O)(O)O.[Fe]
InChI:
InChI=1S/Fe.H3N.H2O4S/c;;1-5(2,3)4/h;1H3;(H2,1,2,3,4)
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.95 g/mol | CAS Common Chemistry |
| 170.95499999999998 g/mol | RDKit | |
| 170.92886614 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_iron(III)_sulfate | CAS Common Chemistry |
| Canonical SMILES | [Fe].O=S(=O)(O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/Fe.H3N.H2O4S/c;;1-5(2,3)4/h;1H3;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=SGSXYQPXIVHYON-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ammonium ferric sulfate | CAS Common Chemistry |
| Ammonium iron(III) sulfate | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 109.60000000000001 Ų | RDKit |
| LogP | -0.4932999999999997 | RDKit |
| Molar Refractivity | 19.1995 | RDKit |
