caesium(1+) ion triiodan-2-uide

• ChemBase ID: 134520
• Molecular Formular: CsI3
• Molecular Mass: 513.61886
• Monoisotopic Mass: 513.61887
• SMILES: [Cs+].[I-](I)I
• Canonical SMILES: I[I-]I.[Cs+]
• InChI: InChI=1S/Cs.I3/c;1-3-2/q+1;-1
• InChIKey: PSDVEXXHXQVSQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: caesium(1+) ion triiodan-2-uide
• IUPAC Traditional name: caesium(1+) ion triiodan-2-uide
• Synonyms: Cesium triiodide; 三碘化铯

Database IDs

• CAS Number: 12297-72-2; 20202-54-4
• MDL Number: MFCD00016053
• PubChem SID: 162228796; 24871883; 24880758
• PubChem CID: 23717889

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 40.0224 cm^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false
• LogD (pH = 5.5): 2.037316
• LogD (pH = 7.4): 2.037316
• Log P: 2.037316
• Polarizability: 17.18739 Å^3

PROPERTIES

Physical Property

• Melting Point: 207 °C(lit.)
• Density: 4.47; 4.51 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38-42/43
• Safety Statements: 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H315-H317-H319-H334-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P342 + P311; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥99.9%; ≥99.99%; 98%
• Linear Formula: CsI3

DETAILS

Sigma Aldrich - 483338

Packaging
5 g in glass bottle