triiodoyttrium

• ChemBase ID: 148295
• Molecular Formular: I3Y
• Molecular Mass: 469.61926
• Monoisotopic Mass: 469.619267
• SMILES: [Y](I)(I)I
• Canonical SMILES: I[Y](I)I
• InChI: InChI=1S/3HI.Y/h3*1H;/q;;;+3/p-3
• InChIKey: LFWQXIMAKJCMJL-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: triiodoyttrium
• IUPAC Traditional name: triiodoyttrium
• Synonyms: Yttrium(III) iodide; 碘化钇(III)

Database IDs

• CAS Number: 13470-38-7
• EC Number: 236-737-1
• MDL Number: MFCD00054144
• PubChem SID: 162242471; 24865836
• PubChem CID: 83510

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8008
• LogD (pH = 7.4): 2.8008
• Log P: 2.8008
• Molar Refractivity: 40.0224 cm^3
• Polarizability: 21.916391 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: flakes

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 40-42/43
• Safety Statements: 22-26-36/37/39
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H317-H334-H351
• GHS Precautionary statements: P261-P280-P342 + P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 99.9% trace metals basis
• Grade: anhydrous
• Linear Formula: YI3

DETAILS

Sigma Aldrich - 413011

Packaging
1 g in ampule
Application
Starting material for YBCO superconducting materials in a lower temperature preparation.1 Applied in the solid-state synthesis of a new compound, Y21I18C14B7, which is the first example of a rare earth metal halide with interstitial halogen atoms with misfit characteristics.2