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Diphenyl Diselenide
CAS: 1666-13-3 | C12H10Se2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1666-13-3
Molecular Formula:
C12H10Se2
Molecular Mass:
312.13 g/mol
Names and Synonyms:
Diphenyl Diselenide
Diselenide, diphenyl
Phenyl diselenide
Diphenyl diselenide
NSC 49763
(Phenyldiselanyl)benzene
1,2-Diphenyldiselane
Identifiers:
SMILES:
c1ccc([Se][Se]c2ccccc2)cc1
InChI:
InChI=1S/C12H10Se2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
Key Properties
Boiling Point
160 °C @ Press: 0.1 Torr
CAS Common Chemistry
Melting Point
63.5 °C
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 | 312.13 g/mol | CAS Common Chemistry |
| 312.132 g/mol | RDKit | |
| 313.91129292 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenyl_diselenide | CAS Common Chemistry |
| Boiling Point | 160 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | [Se]([Se]C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10Se2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=YWWZCHLUQSHMCL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63.5 °C | CAS Common Chemistry |
| Name | Diphenyl diselenide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.9607999999999998 | RDKit |
| Molar Refractivity | 63.660000000000025 | RDKit |
