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Molecule
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 Mass
- 74.79 g/mol
Identifiers
CAS Registry Number
676-58-4
SMILES
[CH3].[Cl-].[Mg+]
InChI Key
RQNMYNYHBQQZSP-UHFFFAOYSA-M
InChI
InChI=1S/CH3.ClH.Mg/h1H3;1H;/q;;+1/p-1
Names and Synonyms
- Methylmagnesium Chloride Synonym
- Magnesium, chloromethyl- Synonym
- Methylmagnesium chloride Synonym
- Chloromethylmagnesium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.79 g/mol | CAS Common Chemistry |
| 74.793 g/mol | RDKit | |
| 77.814 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methylmagnesium_chloride | CAS Common Chemistry |
| Canonical SMILES | Cl[Mg]C | CAS Common Chemistry |
| InChI | InChI=1S/CH3.ClH.Mg/h1H3;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=RQNMYNYHBQQZSP-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Methylmagnesium chloride | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | -2.9265099999999995 | RDKit |
| -2.9265 | RDKit | |
| Molar Refractivity | 12.168000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 73.97736947599999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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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MW = 74.79 g/mol. Edit any field — others recompute live.
