λ1-thallanylium chloride

• ChemBase ID: 129829
• Molecular Formular: ClTl
• Molecular Mass: 239.8363
• Monoisotopic Mass: 239.94327968
• SMILES: [Tl+].[Cl-]
• Canonical SMILES: [Cl-].[Tl+]
• InChI: InChI=1S/ClH.Tl/h1H;/q;+1/p-1
• InChIKey: GBECUEIQVRDUKB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-thallanylium chloride
• IUPAC Traditional name: λ^1-thallanylium chloride
• Synonyms: Thallium(I) chloride, ultra dry; Thallium(I) chloride; Thallous chloride; Thallium(I) chloride; 氯化铊(I), 超干; 氯化铊(I)

Database IDs

• CAS Number: 7791-12-0
• EC Number: 232-241-4
• MDL Number: MFCD00011274
• Merck Index: 149260
• PubChem SID: 162224116
• PubChem CID: 167263; 24642
• CHEBI ID: 37117
• Chemspider ID: 23044
• Wikipedia Title: Thallium(I)_chloride

CALCULATED PROPERTIES

• Acid pKa: -7.0
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8327582
• LogD (pH = 7.4): 0.8327582
• Log P: 0.6123387
• Molar Refractivity: 5.6156 cm^3
• Polarizability: 2.1090326 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.29 g/100 mL (15.5 °C) ; 0.318 g/100 mL (20 °C) ; 2.41 g/100 mL (100 °C) in water; insoluble in alcohol, acetone, NH₄OH
• Apperance: -10 Mesh Beads, Ampouled under argon; Powder; white, odorless crystalline solid
• Melting Point: 430°C; 430°C
• Boiling Point: 720°C (decomp)
• Density: 7.0; 7.004 g/cm^3 (20 °C)
• Refractive Index: 2.247

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Dangerous for the environment (N); Nature polluting (N); Highly toxic (T+); Very toxic (T+)
• UN Number: UN1707
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 26/28-33-51/53; R26/28, R33, R51/53
• Safety Statements: 13-28-45-61; S1/2, S13, S28, S45, S61
• TSCA Listed: 是
• EU Index: 081-002-00-9
• GHS Pictograms: GHS06; GHS08; GHS09
• LD50: 24 mg/kg, oral, mouse
• GHS Hazard statements: H300-H330-H373-H411
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P405-P501A

Product Information

• Purity: 99.999% (metals basis)