Back to Search
Molecule
Isopropylmagnesium Chloride
CAS: 1068-55-9 · C3H7ClMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1068-55-9
- Molecular Formula
- C3H7ClMg
- Molecular Mass
- 102.85 g/mol
Identifiers
CAS Registry Number
1068-55-9
SMILES
C[CH]C.[Cl-].[Mg+]
InChI Key
GPIBKUJXKCEZOH-UHFFFAOYSA-M
InChI
InChI=1S/C3H7.ClH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q;;+1/p-1
Names and Synonyms
- Isopropylmagnesium Chloride Synonym
- Magnesium, chloro(1-methylethyl)- Synonym
- Magnesium, chloroisopropyl- Synonym
- Isopropylmagnesium chloride Synonym
- Chloro(1-methylethyl)magnesium Synonym
- Chloroisopropylmagnesium Synonym
- 2-Propylmagnesium chloride Synonym
- Chloro(propan-2-yl)magnesium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.85 g/mol | CAS Common Chemistry |
| 102.84700000000001 g/mol | RDKit | |
| 102.847 g/mol | RDKit | |
| 105.868 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Isopropylmagnesium_chloride | CAS Common Chemistry |
| Canonical SMILES | Cl[Mg]C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7.ClH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=GPIBKUJXKCEZOH-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 155-157 °C | CAS Common Chemistry |
| Name | Chloro(1-methylethyl)magnesium | CAS Common Chemistry |
| Isopropylmagnesium chloride | CAS Common Chemistry | |
| Heavy Atom Count | 5 | 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 | -2.146309999999999 | RDKit |
| -2.1463 | RDKit | |
| Molar Refractivity | 21.401999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| Exact Mass | 102.00866960399999 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 = 102.85 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7ClMg.
