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Molecule
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 Mass
- 102.85 g/mol
Identifiers
CAS Registry Number
2234-82-4
SMILES
[CH2]CC.[Cl-].[Mg+]
InChI Key
AMXVKMXLDJXAPM-UHFFFAOYSA-M
InChI
InChI=1S/C3H7.ClH.Mg/c1-3-2;;/h1,3H2,2H3;1H;/q;;+1/p-1
Names and Synonyms
- Propylmagnesium Chloride Common Name
- Magnesium, chloropropyl- Synonym
- Propylmagnesium chloride Synonym
- Chloropropylmagnesium Synonym
- n-Propylmagnesium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.85 g/mol | CAS Common Chemistry |
| 102.84700000000001 g/mol | RDKit | |
| 102.847 g/mol | RDKit | |
| 105.868 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Mg]CCC | CAS Common Chemistry |
| InChI | InChI=1S/C3H7.ClH.Mg/c1-3-2;;/h1,3H2,2H3;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=AMXVKMXLDJXAPM-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Propylmagnesium chloride | 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 |
| -2.1463 | RDKit | |
| Molar Refractivity | 21.401999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| Exact Mass | 102.00866960399999 g/mol | RDKit |
| Boiling Point | 148-150 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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.
External Resources
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MW = 102.85 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7ClMg.
