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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
Names and Synonyms:
Isopropylmagnesium Chloride
Magnesium, chloro(1-methylethyl)-
Magnesium, chloroisopropyl-
Isopropylmagnesium chloride
Chloro(1-methylethyl)magnesium
Chloroisopropylmagnesium
2-Propylmagnesium chloride
Chloro(propan-2-yl)magnesium
Identifiers:
SMILES:
C[CH]C.[Cl-].[Mg+]
InChI:
InChI=1S/C3H7.ClH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q;;+1/p-1
Key Properties
Melting Point
155-157 °C
CAS Common Chemistry
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 | 102.85 g/mol | CAS Common Chemistry |
| 102.84700000000001 g/mol | RDKit | |
| 102.00866960399999 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 21.401999999999994 | RDKit |
