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Molecule
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
Identifiers
CAS Registry Number
12068-69-8
SMILES
[Bi].[Se]
InChI Key
QEBDLIWRLCPLCY-UHFFFAOYSA-N
InChI
InChI=1S/Bi.Se
Names and Synonyms
- Bismuth Selenide Synonym
- Bismuth selenide (Bi2Se3) Synonym
- Bismuth sesquiselenide Synonym
- Dibismuth triselenide Synonym
- Bismuth selenide Synonym
- Bismuth selenide (Bi2Se3), selenium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 287.94 g/mol | RDKit |
| 288.89692 g/mol | RDKit | |
| 292.98 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 287.94 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
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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 = 287.94 g/mol; density = 6.970 g/mL. Edit any field — others recompute live.
