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Ethylmagnesium Bromide
CAS: 925-90-6 | C2H5BrMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
925-90-6
Molecular Formula:
C2H5BrMg
Molecular Weight:
133.271 g/mol
Names and Synonyms:
Ethylmagnesium Bromide
Magnesium, bromoethyl-
Ethylmagnesium bromide
Bromoethylmagnesium
Identifiers:
SMILES:
[Br-].[CH2]C.[Mg+]
InChI:
InChI=1S/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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| 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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 133.271 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 131.94250396 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -2.536409999999999 | RDKit |
| cas-canonical-smile | Br[Mg]CC None | Legacy Database |
| molecular_mass | 133.27 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ethylmagnesium_bromide None | Legacy Database |
| cas-boiling-point | 57-75 °C @ Press: 43 Torr None | Legacy Database |
| cas-inchi | InChI=1S/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=TWTWFMUQSOFTRN-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 72.4-73.8 °C None | Legacy Database |
| cas-name | Ethylmagnesium bromide None | Legacy Database |
| wikipedia-name | Ethylmagnesium bromide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.785 | RDKit |
