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Bismuth Selenide
CAS: 12068-69-8 | BiSe
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12068-69-8
Molecular Formula:
BiSe
Molecular Mass:
287.94 g/mol
Names and Synonyms:
Bismuth Selenide
Bismuth selenide (Bi2Se3)
Bismuth sesquiselenide
Dibismuth triselenide
Bismuth selenide
Bismuth selenide (Bi2Se3), selenium
Identifiers:
SMILES:
[Bi].[Se]
InChI:
InChI=1S/Bi.Se
Key Properties
Boiling Point
1007 °C
CAS Common Chemistry
Melting Point
710 °C
CAS Common Chemistry
Density
6.97 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 | 287.94 g/mol | CAS Common Chemistry |
| 288.89692 g/mol | RDKit | |
| Density | 6.97 g/cm³ | CAS Common Chemistry |
| 6.97 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bismuth_selenide | CAS Common Chemistry |
| Boiling Point | 1007 °C | CAS Common Chemistry |
| Canonical SMILES | [Se].[Bi] | CAS Common Chemistry |
| InChI | InChI=1S/Bi.Se | CAS Common Chemistry |
| InChI Key | InChIKey=QEBDLIWRLCPLCY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 710 °C | CAS Common Chemistry |
| Name | Bismuth selenide (Bi2Se3) | CAS Common Chemistry |
| Bismuth selenide | CAS Common Chemistry | |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -0.7616 | RDKit |
| Molar Refractivity | 11.508 | RDKit |
