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Molecule
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 Mass
- 88.82 g/mol
Identifiers
CAS Registry Number
2386-64-3
SMILES
[CH2]C.[Cl-].[Mg+]
InChI Key
ZWNJJACKPNTXHY-UHFFFAOYSA-M
InChI
InChI=1S/C2H5.ClH.Mg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1
Names and Synonyms
- Ethylmagnesium Chloride Common Name
- Magnesium, chloroethyl- Synonym
- Ethylmagnesium chloride Synonym
- Chloroethylmagnesium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.82 g/mol | CAS Common Chemistry |
| 91.841 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Mg]CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5.ClH.Mg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZWNJJACKPNTXHY-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Ethylmagnesium chloride | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | -2.536409999999999 | RDKit |
| -2.5364 | RDKit | |
| Molar Refractivity | 16.785 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 87.99301953999999 g/mol | RDKit |
| Boiling Point | 136-138 °C @ 13 Torr | CAS Common Chemistry |
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 = 88.82 g/mol. Edit any field — others recompute live.
