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Ethylaluminum Dichloride
CAS: 563-43-9 | C2H5AlCl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
563-43-9
Molecular Formula:
C2H5AlCl2
Molecular Weight:
126.95 g/mol
Names and Synonyms:
Ethylaluminum Dichloride
Aluminum, dichloroethyl-
Ethylaluminum dichloride
Dichloroethylaluminum
Dichloromonoethylaluminum
Ethyldichloroaluminum
Ethylaluminium dichloride
Ethyldichloroaluminium
Identifiers:
SMILES:
[Al+2].[CH2]C.[Cl-].[Cl-]
InChI:
InChI=1S/C2H5.Al.2ClH/c1-2;;;/h1H2,2H3;;2*1H/q;+2;;/p-2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 126.95 g/mol | Legacy Database |
| density | 1.22 g/cm³ | Legacy Database |
| cas-boiling-point | 194 °C None | Legacy Database |
| cas-canonical-smile | Cl[Al](Cl)CC None | Legacy Database |
| cas-density | 1.222 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C2H5.Al.2ClH/c1-2;;;/h1H2,2H3;;2*1H/q;+2;;/p-2 None | Legacy Database |
| cas-inchi-key | InChIKey=UAIZDWNSWGTKFZ-UHFFFAOYSA-L None | Legacy Database |
| cas-melting-point | 31 °C None | Legacy Database |
| cas-name | Ethylaluminum dichloride None | Legacy Database |
| LogP | -5.53241 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 126.95 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 125.95836915 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.785 | RDKit |
