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Molecule
Bromo(1-Methylethyl)Magnesium
CAS: 920-39-8 · C3H7BrMg
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 920-39-8
- Molecular Formula
- C3H7BrMg
- Molecular Mass
- 147.30 g/mol
Identifiers
CAS Registry Number
920-39-8
SMILES
C[CH]C.[Br-].[Mg+]
InChI Key
UCJIVFREPMUZDC-UHFFFAOYSA-M
InChI
InChI=1S/C3H7.BrH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q;;+1/p-1
Names and Synonyms
- Bromo(1-Methylethyl)Magnesium Synonym
- Magnesium, bromo(1-methylethyl)- Synonym
- Magnesium, bromoisopropyl- Synonym
- Isopropylmagnesium bromide Synonym
- Magnesium, isopropyl-, bromide Synonym
- Bromo(1-methylethyl)magnesium Synonym
- Bromoisopropylmagnesium Synonym
- 1-Methylethylmagnesium bromide Synonym
- iso-Propylmagnesium bromide Synonym
- 2-Propylmagnesium bromide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.30 g/mol | CAS Common Chemistry |
| 147.298 g/mol | RDKit | |
| 150.322 g/mol | chempirical lib | |
| Canonical SMILES | Br[Mg]C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7.BrH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=UCJIVFREPMUZDC-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 86.5-87 °C | CAS Common Chemistry |
| Name | Bromo(1-methylethyl)magnesium | 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 | 145.958154024 g/mol | RDKit |
| Boiling Point | 117-119 °C @ 0.2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 147.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7BrMg.
