thallium(3+) ion hydrate trichloride

• ChemBase ID: 106918
• Molecular Formular: Cl3OTl
• Molecular Mass: 326.7417
• Monoisotopic Mass: 325.87589966
• SMILES: O.[Cl-].[Cl-].[Cl-].[Tl+3]
• Canonical SMILES: O.[Cl-].[Cl-].[Cl-].[Tl+3]
• InChI: InChI=1S/3ClH.H2O.Tl/h3*1H;1H2;/q;;;;+3/p-3
• InChIKey: SWGLTBCHNXCQPK-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: thallium(3+) ion hydrate trichloride
• IUPAC Traditional name: thallium, ion hydrate trichloride; thallium(3+) ion hydrate trichloride
• Synonyms: THALLIUM CHLORIDE (IC); Thallic chloride; Thallium(III) chloride hydrate; 水合三氯化铊(III)

Database IDs

• CAS Number: 13453-33-3
• EC Number: 236-625-2
• MDL Number: MFCD00049600
• PubChem SID: 162093026
• PubChem CID: 3084144

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 3.7 cm^3
• Polarizability: 1.4714895 Å^3
• Polar Surface Area: 25.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline Aggregates
• Melting Point: 37°C

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: UN1707
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 26/28-33-51/53
• Safety Statements: 13-28-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H300-H330-H373-H411
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P405-P501A

Product Information

• Purity: 99.9%

DETAILS

MP Biomedicals - 05201890

MP Biomedicals Rare Chemical collection