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Molecule
Ethylmagnesium Bromide
CAS: 925-90-6 · C2H5BrMg
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 925-90-6
- Molecular Formula
- C2H5BrMg
- Molecular Mass
- 133.27 g/mol
Identifiers
CAS Registry Number
925-90-6
SMILES
[Br-].[CH2]C.[Mg+]
InChI Key
TWTWFMUQSOFTRN-UHFFFAOYSA-M
InChI
InChI=1S/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1
Names and Synonyms
- Ethylmagnesium Bromide Synonym
- Magnesium, bromoethyl- Synonym
- Ethylmagnesium bromide Synonym
- Bromoethylmagnesium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.27 g/mol | CAS Common Chemistry |
| 133.271 g/mol | RDKit | |
| 136.295 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethylmagnesium_bromide | CAS Common Chemistry |
| Canonical SMILES | Br[Mg]CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=TWTWFMUQSOFTRN-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 72.4-73.8 °C | CAS Common Chemistry |
| Name | Ethylmagnesium bromide | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | -2.536409999999999 | RDKit |
| -2.5364 | RDKit | |
| Molar Refractivity | 16.785 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 131.94250396 g/mol | RDKit |
| Boiling Point | 57-75 °C @ 43 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 133.27 g/mol. Edit any field — others recompute live.
