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Diethylzinc
CAS: 557-20-0 | C4H10Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
557-20-0
Molecular Formula:
C4H10Zn
Molecular Mass:
123.51 g/mol
Names and Synonyms:
Diethylzinc
Zinc, diethyl-
Diethylzinc
Identifiers:
SMILES:
[CH2]C.[CH2]C.[Zn]
InChI:
InChI=1S/2C2H5.Zn/c2*1-2;/h2*1H2,2H3;
Key Properties
Boiling Point
118 °C
CAS Common Chemistry
Melting Point
-28 °C
CAS Common Chemistry
Density
1.21 g/cm³
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 | 123.51 g/mol | CAS Common Chemistry |
| 123.514 g/mol | RDKit | |
| 122.00739252 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.2065 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethylzinc | CAS Common Chemistry |
| Boiling Point | 118 °C | CAS Common Chemistry |
| Canonical SMILES | [Zn](CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/2C2H5.Zn/c2*1-2;/h2*1H2,2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=HQWPLXHWEZZGKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -28 °C | CAS Common Chemistry |
| Name | Diethylzinc | 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 | 1.67828 | RDKit |
| Molar Refractivity | 22.061999999999994 | RDKit |
