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Ferric Chloride Hexahydrate
CAS: 10025-77-1 | H12Cl3FeO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10025-77-1
Molecular Formula:
H12Cl3FeO6
Molecular Mass:
270.29 g/mol
Names and Synonyms:
Ferric Chloride Hexahydrate
Iron chloride (FeCl3), hexahydrate
Ferric chloride hexahydrate
Iron perchloride, hexahydrate
Iron trichloride hexahydrate
Iron(III) chloride hexahydrate
Iron chloride (FeCl3.6H2O)
Ferric trichloride hexahydrate
Iron(3+) chloride hexahydrate
Atofen
Identifiers:
SMILES:
O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Fe+3]
InChI:
InChI=1S/3ClH.Fe.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
Key Properties
Density
1.80 g/cm³
CAS Common Chemistry
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 | 270.29 g/mol | CAS Common Chemistry |
| 270.294 g/mol | RDKit | |
| 268.904883644 g/mol | RDKit | |
| Density | 1.80 g/cm³ | CAS Common Chemistry |
| 1.8 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl[Fe](Cl)Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/3ClH.Fe.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=NQXWGWZJXJUMQB-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Ferric chloride hexahydrate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.0 Ų | RDKit |
| LogP | -13.938699999999995 | RDKit |
| Molar Refractivity | 21.682799999999997 | RDKit |
