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Methylmagnesium Chloride
CAS: 676-58-4 | CH3ClMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
676-58-4
Molecular Formula:
CH3ClMg
Molecular Weight:
74.793 g/mol
Names and Synonyms:
Methylmagnesium Chloride
Synonym
Magnesium, chloromethyl-
Synonym
Methylmagnesium chloride
Synonym
Chloromethylmagnesium
Synonym
Identifiers:
SMILES:
[CH3].[Cl-].[Mg+]
InChI:
InChI=1S/CH3.ClH.Mg/h1H3;1H;/q;;+1/p-1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 74.793 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 73.97736947599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 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 | -2.9265099999999995 | RDKit |
| molecular_mass | 74.79 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Methylmagnesium_chloride None | Legacy Database |
| cas-canonical-smile | Cl[Mg]C None | Legacy Database |
| cas-inchi | InChI=1S/CH3.ClH.Mg/h1H3;1H;/q;;+1/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=RQNMYNYHBQQZSP-UHFFFAOYSA-M None | Legacy Database |
| cas-name | Methylmagnesium chloride None | Legacy Database |
| wikipedia-name | Methylmagnesium chloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.168000000000001 | RDKit |