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Molecule
1,1′-Selenobis[Benzene]
CAS: 1132-39-4 · C12H10Se
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1132-39-4
- Molecular Formula
- C12H10Se
- Molecular Mass
- 233.17200000000003 g/mol
Identifiers
CAS Registry Number
1132-39-4
SMILES
c1ccc([Se]c2ccccc2)cc1
InChI Key
ORQWTLCYLDRDHK-UHFFFAOYSA-N
InChI
InChI=1S/C12H10Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
Names and Synonyms
- 1,1′-Selenobis[Benzene] Systematic Name
- Benzene, 1,1′-selenobis- Synonym
- Phenyl selenide Synonym
- 1,1′-Selenobis[benzene] Synonym
- Diphenyl selenide Synonym
- Diphenylselenium Synonym
- NSC 49758 Synonym
- Diphenylselane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.3515 g/cm3 @ 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 |
| Molecular Mass | 233.17200000000003 g/mol | RDKit |
| 233.99477162 g/mol | RDKit | |
| 233.172 g/mol | RDKit | |
| 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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 233.17 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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MW = 233.17 g/mol; density = 1.350 g/mL. Edit any field — others recompute live.
