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Molecule
Allylmagnesium Bromide
CAS: 1730-25-2 · C3H5BrMg
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1730-25-2
- Molecular Formula
- C3H5BrMg
- Molecular Mass
- 145.28 g/mol
Identifiers
CAS Registry Number
1730-25-2
SMILES
[Br-].[CH2]C=C.[Mg+]
InChI Key
FEMBXICCJNZMMC-UHFFFAOYSA-M
InChI
InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q;;+1/p-1
Names and Synonyms
- Allylmagnesium Bromide Synonym
- Magnesium, bromo-2-propenyl- Synonym
- Magnesium, allylbromo- Synonym
- Allylmagnesium bromide Synonym
- Bromo-2-propenylmagnesium Synonym
- Allylbromomagnesium Synonym
- 2-Propenylmagnesium bromide Synonym
- (Prop-2-en-1-yl)magnesium bromide Synonym
- Bromo(prop-2-en-1-yl)magnesium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.28 g/mol | CAS Common Chemistry |
| 145.28199999999998 g/mol | RDKit | |
| 145.282 g/mol | RDKit | |
| 148.306 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Allylmagnesium_bromide | CAS Common Chemistry |
| Canonical SMILES | Br[Mg]CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=FEMBXICCJNZMMC-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Allylmagnesium bromide | 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 | -2.370309999999999 | RDKit |
| -2.3703 | RDKit | |
| Molar Refractivity | 21.307999999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 143.94250396 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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
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MW = 145.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H5BrMg.
