λ1-thallanylium bromide

• ChemBase ID: 129828
• Molecular Formular: BrTl
• Molecular Mass: 284.2873
• Monoisotopic Mass: 283.892764
• SMILES: [Br-].[Tl+]
• Canonical SMILES: [Br-].[Tl+]
• InChI: InChI=1S/BrH.Tl/h1H;/q;+1/p-1
• InChIKey: PGAPATLGJSQQBU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 7789-40-4
• EC Number: 232-163-0
• MDL Number: MFCD00011273
• Merck Index: 149258
• PubChem SID: 162224115
• PubChem CID: 6432719; 62677
• Chemspider ID: 56428
• Wikipedia Title: Thallium(I)_bromide

CALCULATED PROPERTIES

• Acid pKa: -8.0
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0182534
• LogD (pH = 7.4): 1.0182534
• Log P: 0.797834
• Molar Refractivity: 8.5991 cm^3
• Polarizability: 3.2406807 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.0047 g/100 mL (20 °C) in water; Practically insoluble in water
• Apperance: -10 Mesh Beads, Ampouled under argon; Powder; yellow-white crystalline solid
• Melting Point: 480 °C; ca 460°C
• Boiling Point: 815 °C
• Density: 7.5; 7.557 g/cm^3

Safety Information

• Storage Warning: Hygroscopic
• 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
• GHS Hazard statements: H300-H330-H373-H411
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P405-P501A

Product Information

• Purity: 99.998% (metals basis); 99.999% (metals basis)