Back to Search
Ethylmagnesium Chloride
CAS: 2386-64-3 | C2H5ClMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2386-64-3
Molecular Formula:
C2H5ClMg
Molecular Weight:
88.82 g/mol
Names and Synonyms:
Ethylmagnesium Chloride
Common Name
Chloroethylmagnesium
Synonym
Ethylmagnesium chloride
Synonym
Magnesium, chloroethyl-
Synonym
Identifiers:
SMILES:
[CH2]C.[Cl-].[Mg+]
InChI:
InChI=1S/C2H5.ClH.Mg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 88.82 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 87.99301953999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -2.536409999999999 | RDKit |
| molecular_mass | 88.82 g/mol | Legacy Database |
| cas-boiling-point | 136-138 °C @ Press: 13 Torr None | Legacy Database |
| cas-canonical-smile | Cl[Mg]CC None | Legacy Database |
| cas-inchi | InChI=1S/C2H5.ClH.Mg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=ZWNJJACKPNTXHY-UHFFFAOYSA-M None | Legacy Database |
| cas-name | Ethylmagnesium chloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.785 | RDKit |