[(selanylidenebismuthanyl)selanyl]bismuthaneselone

• ChemBase ID: 144414
• Molecular Formular: Bi2H2Se3
• Molecular Mass: 656.85668
• Monoisotopic Mass: 659.72600906
• SMILES: [SeH]=[Bi][Se][Bi]=[SeH]
• Canonical SMILES: [SeH]=[Bi][Se][Bi]=[SeH]
• InChI: InChI=1S/2Bi.3Se
• InChIKey: OMEPJWROJCQMMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(selanylidenebismuthanyl)selanyl]bismuthaneselone
• IUPAC Traditional name: [(selanylidenebismuthanyl)selanyl]bismuthaneselone
• Synonyms: Bismuth selenide; Bismuth(III) selenide; 硒化铋(III)

Database IDs

• CAS Number: 12068-69-8
• EC Number: 235-104-7
• MDL Number: MFCD00014200
• PubChem SID: 162238629; 24864986
• PubChem CID: 6379269

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7419
• LogD (pH = 7.4): 0.7419
• Log P: 0.7419
• Molar Refractivity: 39.3447 cm^3
• Polarizability: 21.140375 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: granular (melted); solid
• Melting Point: 710 °C(lit.)
• Density: 6.82 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3283
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23/25-33-50/53
• Safety Statements: 20/21-28-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H331-H373-H410
• GHS Precautionary statements: P261-P273-P301 + P310-P311-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3283 6.1/PG 3

Product Information

• Purity: 99.999% trace metals basis
• Empirical Formula (Hill Notation): Bi2Se3

DETAILS

Sigma Aldrich - 401080

Packaging
5 g in glass bottle

Sigma Aldrich - 733504

Packaging
5 g in glass bottle