trichlorothallane tetrahydrate

• ChemBase ID: 137540
• Molecular Formular: Cl3H8O4Tl
• Molecular Mass: 382.80342
• Monoisotopic Mass: 381.92324378
• SMILES: O.O.O.O.Cl[Tl](Cl)Cl
• Canonical SMILES: Cl[Tl](Cl)Cl.O.O.O.O
• InChI: InChI=1S/3ClH.4H2O.Tl/h3*1H;4*1H2;/q;;;;;;;+3/p-3
• InChIKey: OKOWNNXUBXWOSD-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trichlorothallane tetrahydrate
• IUPAC Traditional name: thallium chloride tetrahydrate
• Synonyms: Thallium(III) chloride tetrahydrate; 三氯化铊 四水合物

Database IDs

• CAS Number: 13453-33-3
• MDL Number: MFCD00150366
• PubChem SID: 24860115; 162231802
• PubChem CID: 57347747

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9335
• LogD (pH = 7.4): 1.9335
• Log P: 1.9335
• Molar Refractivity: 18.4089 cm^3
• Polarizability: 14.946044 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1707
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 26/28-33-51/53
• Safety Statements: 13-28-45-61
• RID/ADR: UN 1707 6.1/PG 2

Product Information

• Purity: 98%
• Linear Formula: TlCl3·4H2O