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Ferrous Chloride Tetrahydrate
CAS: 13478-10-9 | H8Cl2FeO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13478-10-9
Molecular Formula:
H8Cl2FeO4
Molecular Mass:
198.81 g/mol
Names and Synonyms:
Ferrous Chloride Tetrahydrate
Iron, dichloro-, hydrate (1:4)
Iron chloride (FeCl2), tetrahydrate
Ferrous chloride tetrahydrate
Iron dichloride tetrahydrate
Iron(II) chloride tetrahydrate
Iron chloride tetrahydrate
FeCl2·4H2O
Identifiers:
SMILES:
O.O.O.O.[Cl-].[Cl-].[Fe+2]
InChI:
InChI=1S/2ClH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2
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 | 198.81 g/mol | CAS Common Chemistry |
| 198.811 g/mol | RDKit | |
| 197.914901596 g/mol | RDKit | |
| Canonical SMILES | Cl[Fe]Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/2ClH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=WSSMOXHYUFMBLS-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Ferrous chloride tetrahydrate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 126.0 Ų | RDKit |
| LogP | -9.293299999999999 | RDKit |
| Molar Refractivity | 14.455199999999998 | RDKit |
