thallium(3+) ion hydrate triperchlorate

• ChemBase ID: 139049
• Molecular Formular: Cl3H2O13Tl
• Molecular Mass: 520.75038
• Monoisotopic Mass: 519.83052516
• SMILES: O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[Tl+3]
• Canonical SMILES: [O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.O.[Tl+3]
• InChI: InChI=1S/3ClHO4.H2O.Tl/c3*2-1(3,4)5;;/h3*(H,2,3,4,5);1H2;/q;;;;+3/p-3
• InChIKey: DXHAWILRGQHYAE-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: thallium(3+) ion hydrate triperchlorate
• IUPAC Traditional name: thallium(3+) ion hydrate triperchlorate
• Synonyms: Thallium(III) perchlorate hydrate; 高氯酸铊(III) 水合物

Database IDs

• CAS Number: 207738-09-8
• EC Number: 239-677-4
• MDL Number: MFCD00192497
• PubChem SID: 162233300; 24865217
• PubChem CID: 16212594

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: false
• Acid pKa: -6.8919964
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.4740524
• LogD (pH = 7.4): -2.4740524
• Log P: -0.097653694
• Molar Refractivity: 11.9079 cm^3
• Polarizability: 5.355259 Å^3
• Polar Surface Area: 74.27 Å^2

PROPERTIES

Physical Property

• Apperance: crystalline

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 3087
• German water hazard class: 2
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 26/28-33-51/53
• Safety Statements: 13-28-45-61
• GHS Pictograms: GHS03; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H300-H330-H373-H411
• GHS Precautionary statements: P220-P260-P264-P273-P284-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, 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 3087 5.1/PG 2

Product Information

• Linear Formula: Tl(ClO4)3·xH2O