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Molecule
Diethylaluminium Chloride
CAS: 96-10-6 · C4H10AlCl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 96-10-6
- Molecular Formula
- C4H10AlCl
- Molecular Mass
- 120.56 g/mol
Identifiers
CAS Registry Number
96-10-6
SMILES
[Al+].[CH2]C.[CH2]C.[Cl-]
InChI Key
YNLAOSYQHBDIKW-UHFFFAOYSA-M
InChI
InChI=1S/2C2H5.Al.ClH/c2*1-2;;/h2*1H2,2H3;;1H/q;;+1;/p-1
Names and Synonyms
- Diethylaluminium Chloride Common Name
- Aluminum, chlorodiethyl- Synonym
- Diethylaluminum chloride Synonym
- Aluminum, dichlorotetraethyldi- Synonym
- Chlorodiethylaluminum Synonym
- Diethylaluminum monochloride Synonym
- Diethylchloroaluminum Synonym
- Diethylaluminium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.56 g/mol | CAS Common Chemistry |
| 120.559 g/mol | RDKit | |
| 124.588 g/mol | chempirical lib | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9709 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethylaluminium_chloride | CAS Common Chemistry |
| Boiling Point | 208 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Al](CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/2C2H5.Al.ClH/c2*1-2;;/h2*1H2,2H3;;1H/q;;+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=YNLAOSYQHBDIKW-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | -74 °C | CAS Common Chemistry |
| Name | Diethylaluminum chloride | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | -1.6960199999999988 | RDKit |
| -1.696 | RDKit | |
| Molar Refractivity | 27.81599999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 120.02864163 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 120.56 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
