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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 Mass:
74.79 g/mol
Names and Synonyms:
Methylmagnesium Chloride
Magnesium, chloromethyl-
Methylmagnesium chloride
Chloromethylmagnesium
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
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.79 g/mol | CAS Common Chemistry |
| 74.793 g/mol | RDKit | |
| 73.97736947599999 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 12.168000000000001 | RDKit |
