thorium(4+) ion hydrate tetranitrate

• ChemBase ID: 134485
• Molecular Formular: H2N4O13Th
• Molecular Mass: 498.07298
• Monoisotopic Mass: 497.99989114
• SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Th+4]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].O.[Th+4]
• InChI: InChI=1S/4NO3.H2O.Th/c4*2-1(3)4;;/h;;;;1H2;/q4*-1;;+4
• InChIKey: PRFFJYANKYMDRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thorium(4+) ion hydrate tetranitrate
• IUPAC Traditional name: thorium(4+) ion hydrate tetranitrate
• Synonyms: Thorium nitrate hydrate; 硝酸钍 水合物

Database IDs

• CAS Number: 13823-29-5(anhydrous)
• EC Number: 237-514-1
• MDL Number: MFCD03094924
• PubChem SID: 162228761; 24889181
• PubChem CID: 56924507

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 9.8534 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 68.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: XO6825000
• European Hazard Symbols: Nature polluting (N); Oxidising (O); Harmful (Xn)
• UN Number: 1477
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 8-22-33-36/37/38-51/53
• Safety Statements: 36/37/39-45-61
• GHS Pictograms: GHS03; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H302-H315-H319-H335-H373-H411
• GHS Precautionary statements: P220-P261-P273-P305 + P351 + P338
• RID/ADR: UN 1477 5.1/PG 2

Product Information

• Purity: 99% (T)
• Impurities: ~4 mol/mol water
• Extent of Labeling: 3.93 kBq/g specific activity
• Linear Formula: Th(NO3)4 · aq

DETAILS

Sigma Aldrich - 89150

Other Notes
Regulations require a license for the sale of radioactive substances in Switzerland. Swiss customers are kindly requested when ordering, to include their license number, issued by the Swiss Public Health Authorities.
Sales restrictions may apply.
Packaging
5, 100 g in glass bottle