tris(λ4-cerium(4+) ion) (dihydroxydioxidoiodosyl)olate nonanitrate

• ChemBase ID: 150259
• Molecular Formular: Ce3H2IN9O33
• Molecular Mass: 1203.30885
• Monoisotopic Mass: 1202.49628557
• SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O[I](=O)(O)([O-])([O-])[O-].[Ce+4].[Ce+4].[Ce+4]
• Canonical SMILES: [O-][I](=O)(O)(O)([O-])[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[Ce+4].[Ce+4].[Ce+4]
• InChI: InChI=1S/3Ce.H5IO6.9NO3/c;;;2-1(3,4,5,6)7;9*2-1(3)4/h;;;(H5,2,3,4,5,6,7);;;;;;;;;/q3*+4;;9*-1/p-3
• InChIKey: UAFAVRCQSOGROV-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(λ^4-cerium(4+) ion) (dihydroxydioxidoiodosyl)olate nonanitrate
• IUPAC Traditional name: tris(λ^4-cerium(4+) ion) dihydroxydioxidoiodosylolate nonanitrate
• Synonyms: Tris[trinitratocerium(IV)] paraperiodate; DBT; U - Dibenzothiophene; 三[三硝酸铈(IV)]高碘酸; 二苯噻吩; 二苯并噻吩

Database IDs

• CAS Number: 94316-41-3; 132-65-0
• PubChem SID: 162244420; 24867903
• PubChem CID: 11982942

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 24.2416 cm^3
• Polar Surface Area: 126.71 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 90 °C(lit.)

Safety Information

• European Hazard Symbols: Oxidising (O); Harmful (Xn)
• UN Number: 1479
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 8-20/22-36/37/38
• Safety Statements: 17-26-36
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H302-H315-H319-H332-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1479 5.1/PG 2

Product Information

• Linear Formula: [Ce(NO3)3]3(H2IO6)

DETAILS

Sigma Aldrich - 442550

Packaging
5 g in glass bottle

Sigma Aldrich - 442550

Packaging
5 g in glass bottle