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1,1′-Selenobis[Benzene]
CAS: 1132-39-4 | C12H10Se
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1132-39-4
Molecular Formula:
C12H10Se
Molecular Mass:
233.17 g/mol
Names and Synonyms:
1,1′-Selenobis[Benzene]
Benzene, 1,1′-selenobis-
Phenyl selenide
1,1′-Selenobis[benzene]
Diphenyl selenide
Diphenylselenium
NSC 49758
Diphenylselane
Identifiers:
SMILES:
c1ccc([Se]c2ccccc2)cc1
InChI:
InChI=1S/C12H10Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
Key Properties
Boiling Point
301.5 °C
CAS Common Chemistry
Melting Point
2.5 °C
CAS Common Chemistry
Density
1.35 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 | 233.17 g/mol | CAS Common Chemistry |
| 233.17200000000003 g/mol | RDKit | |
| 233.99477162 g/mol | RDKit | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.3515 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 301.5 °C | CAS Common Chemistry |
| Canonical SMILES | [Se](C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=ORQWTLCYLDRDHK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2.5 °C | CAS Common Chemistry |
| Name | 1,1′-Selenobis[benzene] | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.3416 | RDKit |
| Molar Refractivity | 57.90600000000003 | RDKit |
