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Chloro(2-Methylphenyl)Magnesium
CAS: 33872-80-9 | C7H7ClMg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33872-80-9
Molecular Formula:
C7H7ClMg
Molecular Weight:
150.891 g/mol
Names and Synonyms:
Chloro(2-Methylphenyl)Magnesium
Magnesium, chloro(2-methylphenyl)-
Magnesium, chloro-o-tolyl-
o-Tolylmagnesium chloride
Benzene, methyl-, magnesium complex
Chloro(2-methylphenyl)magnesium
(2-Methylphenyl)magnesium chloride
Chloro(2-tolyl)magnesium
2-Tolylmagnesium chloride
Identifiers:
SMILES:
Cc1[c]cccc1.[Cl-].[Mg+]
InChI:
InChI=1S/C7H7.ClH.Mg/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q;;+1/p-1
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 150.89 g/mol | Legacy Database |
| cas-canonical-smile | Cl[Mg]C=1C=CC=CC1C | Legacy Database | |
| cas-inchi | InChI=1S/C7H7.ClH.Mg/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q;;+1/p-1 | Legacy Database | |
| cas-inchi-key | InChIKey=DSJSQDNPAOUFOJ-UHFFFAOYSA-M | Legacy Database | |
| cas-name | Chloro(2-methylphenyl)magnesium | Legacy Database | |
| LogP | -1.5815899999999994 | RDKit | |
| Molecular | Molecular Weight | 150.891 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.008669604 g/mol | RDKit |
| Heavy | Heavy Atom Count | 9 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 35.769 | RDKit |
