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Molecule
Ethylaluminum Dichloride
CAS: 563-43-9 · C2H5AlCl2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 563-43-9
- Molecular Formula
- C2H5AlCl2
- Molecular Mass
- 126.95 g/mol
Identifiers
CAS Registry Number
563-43-9
SMILES
[Al+2].[CH2]C.[Cl-].[Cl-]
InChI Key
UAIZDWNSWGTKFZ-UHFFFAOYSA-L
InChI
InChI=1S/C2H5.Al.2ClH/c1-2;;;/h1H2,2H3;;2*1H/q;+2;;/p-2
Names and Synonyms
- Ethylaluminum Dichloride Synonym
- Aluminum, dichloroethyl- Synonym
- Ethylaluminum dichloride Synonym
- Dichloroethylaluminum Synonym
- Dichloromonoethylaluminum Synonym
- Ethyldichloroaluminum Synonym
- Ethylaluminium dichloride Synonym
- Ethyldichloroaluminium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 126.95 g/mol | CAS Common Chemistry |
| 131.984 g/mol | chempirical lib | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.222 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 194 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Al](Cl)CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5.Al.2ClH/c1-2;;;/h1H2,2H3;;2*1H/q;+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=UAIZDWNSWGTKFZ-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 31 °C | CAS Common Chemistry |
| Name | Ethylaluminum dichloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -5.53241 | RDKit |
| -5.5324 | RDKit | |
| Molar Refractivity | 16.785 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 125.95836915 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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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 = 126.95 g/mol; density = 1.220 g/mL. Edit any field — others recompute live.
