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Molecule
Aluminum Trichloride Hexahydrate
CAS: 7784-13-6 · H12AlCl3O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7784-13-6
- Molecular Formula
- H12AlCl3O6
- Molecular Mass
- 241.43 g/mol
Identifiers
CAS Registry Number
7784-13-6
SMILES
O.O.O.O.O.O.[Al+3].[Cl-].[Cl-].[Cl-]
InChI Key
JGDITNMASUZKPW-UHFFFAOYSA-K
InChI
InChI=1S/Al.3ClH.6H2O/h;3*1H;6*1H2/q+3;;;;;;;;;/p-3
Names and Synonyms
- Aluminum Trichloride Hexahydrate Common Name
- Aluminum chloride (AlCl3), hydrate (1:6) Synonym
- Aluminum chloride, hexahydrate Synonym
- Aluminum chloride (AlCl3), hexahydrate Synonym
- Aluminum trichloride hexahydrate Synonym
- Aluminum(III) chloride hexahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Aluminium_chloride_hexahydrate | CAS Common Chemistry |
| Molecular Mass | 241.43 g/mol | CAS Common Chemistry |
| 241.431 g/mol | RDKit | |
| 247.47 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Al](Cl)Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/Al.3ClH.6H2O/h;3*1H;6*1H2/q+3;;;;;;;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=JGDITNMASUZKPW-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Aluminum trichloride 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 | -14.316999999999997 | RDKit |
| -14.317 | RDKit | |
| Molar Refractivity | 27.436799999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 239.951484774 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 241.43 g/mol. Edit any field — others recompute live.
