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Molecule
Ferric Chloride Hexahydrate
CAS: 10025-77-1 · H12Cl3FeO6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10025-77-1
- Molecular Formula
- H12Cl3FeO6
- Molecular Mass
- 270.29 g/mol
Identifiers
CAS Registry Number
10025-77-1
SMILES
O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Fe+3]
InChI Key
NQXWGWZJXJUMQB-UHFFFAOYSA-K
InChI
InChI=1S/3ClH.Fe.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
Names and Synonyms
- Ferric Chloride Hexahydrate Common Name
- Iron chloride (FeCl3), hexahydrate Synonym
- Ferric chloride hexahydrate Synonym
- Iron perchloride, hexahydrate Synonym
- Iron trichloride hexahydrate Synonym
- Iron(III) chloride hexahydrate Synonym
- Iron chloride (FeCl3.6H2O) Synonym
- Ferric trichloride hexahydrate Synonym
- Iron(3+) chloride hexahydrate Synonym
- Atofen Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.29 g/mol | CAS Common Chemistry |
| 270.294 g/mol | RDKit | |
| 275.325 g/mol | chempirical lib | |
| 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 |
| -13.9387 | RDKit | |
| Molar Refractivity | 21.682799999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 268.904883644 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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0 ppm
| 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.
External Resources
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MW = 270.29 g/mol; density = 1.800 g/mL. Edit any field — others recompute live.
