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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 Mass:
133.27 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
Key Properties
Boiling Point
57-75 °C @ Press: 43 Torr
CAS Common Chemistry
Melting Point
72.4-73.8 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.27 g/mol | CAS Common Chemistry |
| 133.271 g/mol | RDKit | |
| 131.94250396 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethylmagnesium_bromide | CAS Common Chemistry |
| Boiling Point | 57-75 °C @ Press: 43 Torr | 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 |
| Molar Refractivity | 16.785 | RDKit |
