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12068-69-8 molecular structure
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dibismuth(3+) ion triselandiide

ChemBase ID: 110089
Molecular Formular: Bi2Se3
Molecular Mass: 654.8408
Monoisotopic Mass: 657.710359
SMILES and InChIs

SMILES:
[SeH2-2].[SeH2-2].[SeH2-2].[Bi+3].[Bi+3]
Canonical SMILES:
[SeH2-2].[SeH2-2].[SeH2-2].[Bi+3].[Bi+3]
InChI:
InChI=1S/2Bi.3Se/q2*+3;3*-2
InChIKey:
FBGGJHZVZAAUKJ-UHFFFAOYSA-N

Cite this record

CBID:110089 http://www.chembase.cn/molecule-110089.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dibismuth(3+) ion triselandiide
IUPAC Traditional name
dibismuth(3+) ion triselandiide
dibismuth(3+) ion triselenide
Synonyms
Bismuth(III) selenide, Vacuum Deposition Grade
BISMUTH SELENIDE
硒化铋(III),真空沉积级
CAS Number
12068-69-8
EC Number
235-104-7
MDL Number
MFCD00014200
Merck Index
141278
PubChem SID
162095720
PubChem CID
166599

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 166599 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.47458434  LogD (pH = 7.4) -0.21578696 
Log P -0.5047  Molar Refractivity 13.1149 cm3
Polarizability 1.4378842 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Insoluble in water. Decomposes when heated in air. Decomposes in nitric acid and aqua regia expand Show data source
Apperance
1-6 mm Pieces expand Show data source
Melting Point
710°C expand Show data source
Density
6.82 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
UN3077 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Risk Statements
23/25-33-50/53 expand Show data source
R:23/25-33 expand Show data source
Safety Statements
20/21-28-45-60-61 expand Show data source
S:28-45-20/21 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Hazard statements
H301-H331-H373-H400-H410 expand Show data source
GHS Precautionary statements
P260-P261-P301+P310-P321-P405-P501A expand Show data source
Purity
99.999% (metals basis) expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05213704 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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