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Bromo(1-Methylethyl)Magnesium
CAS: 920-39-8 | C3H7BrMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
920-39-8
Molecular Formula:
C3H7BrMg
Molecular Weight:
147.298 g/mol
Names and Synonyms:
Bromo(1-Methylethyl)Magnesium
Magnesium, bromo(1-methylethyl)-
Magnesium, bromoisopropyl-
Isopropylmagnesium bromide
Magnesium, isopropyl-, bromide
Bromo(1-methylethyl)magnesium
Bromoisopropylmagnesium
1-Methylethylmagnesium bromide
iso-Propylmagnesium bromide
2-Propylmagnesium bromide
Identifiers:
SMILES:
C[CH]C.[Br-].[Mg+]
InChI:
InChI=1S/C3H7.BrH.Mg/c1-3-2;;/h3H,1-2H3;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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 147.30 g/mol | Legacy Database |
| cas-boiling-point | 117-119 °C @ Press: 0.2 Torr None | Legacy Database |
| cas-canonical-smile | Br[Mg]C(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C3H7.BrH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q;;+1/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=UCJIVFREPMUZDC-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 86.5-87 °C None | Legacy Database |
| cas-name | Bromo(1-methylethyl)magnesium None | Legacy Database |
| LogP | -2.146309999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 147.298 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 145.958154024 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.401999999999994 | RDKit |
