Back to Search
Molecule
Methylmagnesium Iodide
CAS: 917-64-6 · CH3IMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 917-64-6
- Molecular Formula
- CH3IMg
- Molecular Mass
- 166.24 g/mol
Identifiers
CAS Registry Number
917-64-6
SMILES
[CH3].[I-].[Mg+]
InChI Key
AUPXBVDHVRZMIB-UHFFFAOYSA-M
InChI
InChI=1S/CH3.HI.Mg/h1H3;1H;/q;;+1/p-1
Names and Synonyms
- Methylmagnesium Iodide Synonym
- Magnesium, iodomethyl- Synonym
- Methylmagnesium iodide Synonym
- Iodomethylmagnesium Synonym
- Methylmagnesium iodine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.24 g/mol | CAS Common Chemistry |
| 166.244 g/mol | RDKit | |
| 169.268 g/mol | chempirical lib | |
| Canonical SMILES | I[Mg]C | CAS Common Chemistry |
| InChI | InChI=1S/CH3.HI.Mg/h1H3;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=AUPXBVDHVRZMIB-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Methylmagnesium iodide | 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 | 165.912989796 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 166.24 g/mol. Edit any field — others recompute live.
