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Molecule
Aluminum Chloride Hydroxide (Al2Cl(Oh)5)
CAS: 12042-91-0 · HAlClO-
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12042-91-0
- Molecular Formula
- HAlClO-
- Molecular Mass
- 79.44 g/mol
Identifiers
CAS Registry Number
12042-91-0
SMILES
[Al].[Cl].[OH-]
InChI Key
ZZALTXOYOKPZRE-UHFFFAOYSA-M
InChI
InChI=1S/Al.Cl.H2O/h;;1H2/p-1
Names and Synonyms
- Aluminum Chloride Hydroxide (Al2Cl(Oh)5) Synonym
- Aluminum chloride hydroxide (Al2Cl(OH)5) Synonym
- Aluminum chloride (Al2Cl(OH)5) Synonym
- Aluminum chlorhydroxide [Al2(OH)5Cl] Synonym
- Aluminum hydroxide chloride (Al2(OH)5Cl) Synonym
- Aluminum hydroxychloride (Al2(OH)5Cl) Synonym
- Chloropentahydroxydialuminum Synonym
- Aluminum chlorhydrate (Al2(OH)5Cl) Synonym
- Basic aluminum chloride [Al2(OH)5Cl] Synonym
- Aluminum chloride hydroxide [Al2(OH)5Cl] Synonym
- Aluminum chlorohydroxide (Al2(OH)5Cl) Synonym
- Aluminum monochloride pentahydroxide Synonym
- Aluminum chlorohydrate (Al2(OH)5Cl) Synonym
- Locron L Synonym
- PAC 1000 Synonym
- Takibine 1500 Synonym
- Sumalchlor 50 Synonym
- Megapac 23 Synonym
- DelPAC XG Synonym
- Locron LW Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 79.44 g/mol | CAS Common Chemistry |
| 79.442 g/mol | RDKit | |
| 83.471 g/mol | chempirical lib | |
| Canonical SMILES | [Al].[Cl].[OH-] | CAS Common Chemistry |
| InChI | InChI=1S/Al.Cl.H2O/h;;1H2/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZZALTXOYOKPZRE-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Aluminum chloride hydroxide (Al2Cl(OH)5) | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 30.0 Ų | RDKit |
| LogP | 0.13189999999999996 | RDKit |
| 0.1319 | RDKit | |
| Molar Refractivity | 13.5428 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -1 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 78.95367954191 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 79.44 g/mol. Edit any field — others recompute live.
