selanylidene[(selanylideneindiganyl)selanyl]indigane

• ChemBase ID: 147058
• Molecular Formular: H2In2Se3
• Molecular Mass: 468.53188
• Monoisotopic Mass: 471.57296906
• SMILES: [SeH]=[In][Se][In]=[SeH]
• Canonical SMILES: [SeH]=[In][Se][In]=[SeH]
• InChI: InChI=1S/2In.3Se
• InChIKey: VSXOUQNLLPQTQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: selanylidene[(selanylideneindiganyl)selanyl]indigane
• IUPAC Traditional name: selanylidene[(selanylideneindiganyl)selanyl]indigane
• Synonyms: Indium(III) selenide; 硒化铟(III)

Database IDs

• CAS Number: 12056-07-4
• EC Number: 235-016-9
• MDL Number: MFCD00016147
• PubChem SID: 162241250; 24865178
• PubChem CID: 6390731

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4419
• LogD (pH = 7.4): 0.4419
• Log P: 0.4419
• Molar Refractivity: 39.3447 cm^3
• Polarizability: 15.10604 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: lumps
• Density: 5.67 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

• Linear Formula: In2Se3

DETAILS

Sigma Aldrich - 403318

Packaging
5 g in glass bottle