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Molecule
Ammonium Ferric Sulfate Dodecahydrate
CAS: 7783-83-7 · H17FeNO10S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7783-83-7
- Molecular Formula
- H17FeNO10S
- Molecular Mass
- 279.05 g/mol
Identifiers
CAS Registry Number
7783-83-7
SMILES
N.O.O.O.O.O.O.O=S(=O)(O)O.[Fe]
InChI Key
YCOATAQADICFKX-UHFFFAOYSA-N
InChI
InChI=1S/Fe.H3N.H2O4S.6H2O/c;;1-5(2,3)4;;;;;;/h;1H3;(H2,1,2,3,4);6*1H2
Names and Synonyms
- Ammonium Ferric Sulfate Dodecahydrate Common Name
- Sulfuric acid, ammonium iron(3+) salt (2:1:1), dodecahydrate Synonym
- Ferric ammonium alum (FeNH4(SO4)2.12H2O) Synonym
- Ferric ammonium sulfate dodecahydrate Synonym
- Ammonium iron sulfate (NH4Fe(SO4)2.12H2O) Synonym
- Ammonium iron sulfate ((NH4)Fe(SO4)2) dodecahydrate Synonym
- Ammonium iron disulfate dodecahydrate Synonym
- Ammonium iron(3+) disulfate dodecahydrate Synonym
- Ammonium ferric disulfate dodecahydrate Synonym
- Monoammonium ferric sulfate dodecahydrate Synonym
- Ammonium iron(III) sulfate dodecahydrate Synonym
- Ammonium ferric sulfate dodecahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 279.05 g/mol | CAS Common Chemistry |
| 279.045 g/mol | RDKit | |
| 281.054 g/mol | chempirical lib | |
| Canonical SMILES | [Fe].O=S(=O)(O)O.O.N | CAS Common Chemistry |
| InChI | InChI=1S/Fe.H3N.H2O4S.6H2O/c;;1-5(2,3)4;;;;;;/h;1H3;(H2,1,2,3,4);6*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YCOATAQADICFKX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ammonium ferric sulfate dodecahydrate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 298.6 Ų | RDKit |
| LogP | -5.441499999999997 | RDKit |
| -5.4415 | RDKit | |
| Molar Refractivity | 40.88230000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 278.99225424400004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 279.05 g/mol. Edit any field — others recompute live.
