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Diethyl Diselenide
CAS: 628-39-7 | C4H10Se2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
628-39-7
Molecular Formula:
C4H10Se2
Molecular Mass:
216.04 g/mol
Names and Synonyms:
Diethyl Diselenide
Diselenide, diethyl
Ethyl diselenide
Diethyl diselenide
(Ethyldiselanyl)ethane
Identifiers:
SMILES:
CC[Se][Se]CC
InChI:
InChI=1S/C4H10Se2/c1-3-5-6-4-2/h3-4H2,1-2H3
Key Properties
Boiling Point
74-75 °C @ Press: 14 Torr
CAS Common Chemistry
Density
1.68 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 | 216.04 g/mol | CAS Common Chemistry |
| 216.04399999999995 g/mol | RDKit | |
| 217.91129292 g/mol | RDKit | |
| Density | 1.68 g/cm³ | CAS Common Chemistry |
| 1.6798 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 74-75 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | [Se]([Se]CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10Se2/c1-3-5-6-4-2/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OMAWWKIPXLIPDE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diethyl diselenide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.1862 | RDKit |
| Molar Refractivity | 32.46999999999999 | RDKit |
