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12068-69-8 molecular structure
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[(selanylidenebismuthanyl)selanyl]bismuthaneselone

ChemBase ID: 144414
Molecular Formular: Bi2H2Se3
Molecular Mass: 656.85668
Monoisotopic Mass: 659.72600906
SMILES and InChIs

SMILES:
[SeH]=[Bi][Se][Bi]=[SeH]
Canonical SMILES:
[SeH]=[Bi][Se][Bi]=[SeH]
InChI:
InChI=1S/2Bi.3Se
InChIKey:
OMEPJWROJCQMMU-UHFFFAOYSA-N

Cite this record

CBID:144414 http://www.chembase.cn/molecule-144414.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(selanylidenebismuthanyl)selanyl]bismuthaneselone
IUPAC Traditional name
[(selanylidenebismuthanyl)selanyl]bismuthaneselone
Synonyms
Bismuth selenide
Bismuth(III) selenide
硒化铋(III)
CAS Number
12068-69-8
EC Number
235-104-7
MDL Number
MFCD00014200
PubChem SID
162238629
24864986
PubChem CID
6379269

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6379269 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7419  LogD (pH = 7.4) 0.7419 
Log P 0.7419  Molar Refractivity 39.3447 cm3
Polarizability 21.140375 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)
Apperance
granular (melted) expand Show data source
solid expand Show data source
Melting Point
710 °C(lit.) expand Show data source
Density
6.82 g/mL at 25 °C(lit.) 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
3283 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
23/25-33-50/53 expand Show data source
Safety Statements
20/21-28-45-60-61 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H331-H373-H410 expand Show data source
GHS Precautionary statements
P261-P273-P301 + P310-P311-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3283 6.1/PG 3 expand Show data source
Purity
99.999% trace metals basis expand Show data source
Empirical Formula (Hill Notation)
Bi2Se3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 401080 external link
Packaging
5 g in glass bottle
Sigma Aldrich - 733504 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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