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Molecule
Diethylmercury
CAS: 627-44-1 · C4H10Hg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 627-44-1
- Molecular Formula
- C4H10Hg
- Molecular Mass
- 258.714 g/mol
Identifiers
CAS Registry Number
627-44-1
SMILES
[CH2]C.[CH2]C.[Hg]
InChI Key
SPIUPAOJDZNUJH-UHFFFAOYSA-N
InChI
InChI=1S/2C2H5.Hg/c2*1-2;/h2*1H2,2H3;
Names and Synonyms
- Diethylmercury Synonym
- Mercury, diethyl- Synonym
- Diethylmercury Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 2.43 g/cm³ | CAS Common Chemistry |
| 2.4268 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethylmercury | CAS Common Chemistry |
| Boiling Point | 159 °C | CAS Common Chemistry |
| Canonical SMILES | [Hg](CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/2C2H5.Hg/c2*1-2;/h2*1H2,2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=SPIUPAOJDZNUJH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Diethylmercury | CAS Common Chemistry |
| Molecular Mass | 258.714 g/mol | RDKit |
| 260.04889332 g/mol | RDKit | |
| 259.724 g/mol | chempirical lib | |
| 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 |
| 1.6783 | RDKit | |
| Molar Refractivity | 22.061999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 258.71 g/mol | CAS Common Chemistry |
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
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Quick conversion
MW = 258.71 g/mol; density = 2.430 g/mL. Edit any field — others recompute live.
