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Dimethyl Diselenide
CAS: 7101-31-7 | C2H6Se2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7101-31-7
Molecular Formula:
C2H6Se2
Molecular Mass:
187.99 g/mol
Names and Synonyms:
Dimethyl Diselenide
Diselenide, dimethyl
Methyl diselenide
Dimethyl diselenide
(Methyldiselanyl)methane
Identifiers:
SMILES:
C[Se][Se]C
InChI:
InChI=1S/C2H6Se2/c1-3-4-2/h1-2H3
Key Properties
Boiling Point
156 °C
CAS Common Chemistry
Density
2.01 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 | 187.99 g/mol | CAS Common Chemistry |
| 187.98999999999998 g/mol | RDKit | |
| 189.879992792 g/mol | RDKit | |
| Density | 2.01 g/cm³ | CAS Common Chemistry |
| 2.009 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 156 °C | CAS Common Chemistry |
| Canonical SMILES | [Se]([Se]C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6Se2/c1-3-4-2/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VLXBWPOEOIIREY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dimethyl diselenide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.4059999999999999 | RDKit |
| Molar Refractivity | 23.23599999999999 | RDKit |
