diiodobarium

• ChemBase ID: 145072
• Molecular Formular: BaI2
• Molecular Mass: 391.13594
• Monoisotopic Mass: 391.714193
• SMILES: I[Ba]I
• Canonical SMILES: I[Ba]I
• InChI: InChI=1S/Ba.2HI/h;2*1H/q+2;;/p-2
• InChIKey: SGUXGJPBTNFBAD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: diiodobarium
• IUPAC Traditional name: diiodobarium
• Synonyms: Barium iodide; 碘化钡

Database IDs

• CAS Number: 13718-50-8
• EC Number: 237-276-9
• MDL Number: MFCD00003452
• PubChem SID: 24865873; 162239282
• PubChem CID: 83684

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6672
• LogD (pH = 7.4): 1.6672
• Log P: 1.6672
• Molar Refractivity: 26.6816 cm^3
• Polarizability: 17.541119 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: beads
• Melting Point: 740 °C(lit.)
• Density: 5.15 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 1564
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/22
• Safety Statements: 28
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 1564 6.1/PG 3

Product Information

• Purity: 99.995% trace metals basis
• Grade: anhydrous
• Particle Size: -10 mesh
• Linear Formula: BaI2

DETAILS

Sigma Aldrich - 413615

Packaging
5, 25 g in ampule
Application
Reagent for facile synthesis of poly(phenylcarbyne), a precursor to diamond-like carbon.1