Back to Search
Molecule
Dimethylzinc
CAS: 544-97-8 · C2H6Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 544-97-8
- Molecular Formula
- C2H6Zn
- Molecular Mass
- 95.46 g/mol
Identifiers
CAS Registry Number
544-97-8
SMILES
[CH3].[CH3].[Zn]
InChI Key
AXAZMDOAUQTMOW-UHFFFAOYSA-N
InChI
InChI=1S/2CH3.Zn/h2*1H3;
Names and Synonyms
- Dimethylzinc Common Name
- Zinc, dimethyl- Synonym
- Dimethylzinc Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 95.46 g/mol | CAS Common Chemistry |
| 95.46000000000001 g/mol | RDKit | |
| 97.466 g/mol | chempirical lib | |
| Density | 1.39 g/cm³ | CAS Common Chemistry |
| 1.386 g/cm3 @ 10.5 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethylzinc | CAS Common Chemistry |
| Boiling Point | 46 °C | CAS Common Chemistry |
| Canonical SMILES | [Zn](C)C | CAS Common Chemistry |
| InChI | InChI=1S/2CH3.Zn/h2*1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=AXAZMDOAUQTMOW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -40 °C | CAS Common Chemistry |
| Name | Dimethylzinc | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | 0.89808 | RDKit |
| 0.8981 | RDKit | |
| Molar Refractivity | 12.828000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 93.976092392 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 95.46 g/mol; density = 1.390 g/mL. Edit any field — others recompute live.
