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Propylmagnesium Bromide
CAS: 927-77-5 | C3H7BrMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
927-77-5
Molecular Formula:
C3H7BrMg
Molecular Mass:
147.30 g/mol
Names and Synonyms:
Propylmagnesium Bromide
Magnesium, bromopropyl-
Propylmagnesium bromide
Bromopropylmagnesium
1-Propylmagnesium bromide
n-Propylmagnesium bromide
Identifiers:
SMILES:
[Br-].[CH2]CC.[Mg+]
InChI:
InChI=1S/C3H7.BrH.Mg/c1-3-2;;/h1,3H2,2H3;1H;/q;;+1/p-1
Key Properties
Boiling Point
120-121 °C @ Press: 0.2 Torr
CAS Common Chemistry
Melting Point
61.5-62.5 °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 | 147.30 g/mol | CAS Common Chemistry |
| 147.298 g/mol | RDKit | |
| 145.958154024 g/mol | RDKit | |
| Boiling Point | 120-121 °C @ Press: 0.2 Torr | CAS Common Chemistry |
| Canonical SMILES | Br[Mg]CCC | CAS Common Chemistry |
| InChI | InChI=1S/C3H7.BrH.Mg/c1-3-2;;/h1,3H2,2H3;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=YQMARKZVVTYGOK-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 61.5-62.5 °C | CAS Common Chemistry |
| Name | Propylmagnesium 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 | -2.146309999999999 | RDKit |
| Molar Refractivity | 21.401999999999994 | RDKit |
