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Propylmagnesium Chloride
CAS: 2234-82-4 | C3H7ClMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2234-82-4
Molecular Formula:
C3H7ClMg
Molecular Weight:
102.84700000000001 g/mol
Names and Synonyms:
Propylmagnesium Chloride
n-Propylmagnesium chloride
Chloropropylmagnesium
Propylmagnesium chloride
Magnesium, chloropropyl-
Identifiers:
SMILES:
[CH2]CC.[Cl-].[Mg+]
InChI:
InChI=1S/C3H7.ClH.Mg/c1-3-2;;/h1,3H2,2H3;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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8
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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 |
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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 | 102.84700000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 102.00866960399999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 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 | -2.146309999999999 | RDKit |
| cas-canonical-smile | Cl[Mg]CCC None | Legacy Database |
| molecular_mass | 102.85 g/mol | Legacy Database |
| cas-boiling-point | 148-150 °C @ Press: 15 Torr None | Legacy Database |
| cas-inchi | InChI=1S/C3H7.ClH.Mg/c1-3-2;;/h1,3H2,2H3;1H;/q;;+1/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=AMXVKMXLDJXAPM-UHFFFAOYSA-M None | Legacy Database |
| cas-name | Propylmagnesium chloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.401999999999994 | RDKit |
