2570-63-0

Basic information

• Product Name: THALLIC ACETATE
• Synonyms: ACETIC ACID, THALLIC SALT SESQUIHYDRATE;ACETIC ACID, THALLIUM(III) SALT;THALLIC ACETATE;THALLIUM ACETATE (IC);THALLIUM (IC) ACETATE SESQUIHYDRATE;THALLIUM(III) ACETATE;aceticacid,thallium(3++)salt;Thallium(III) acetate, 98.6%
• CAS NO: 2570-63-0
• Molecular Formula: C₆H₉O₆Tl
• Molecular Weight: 381.52
• EINECS: 219-913-2
• Product Categories: Catalysis and Inorganic Chemistry;Chemical Synthesis;Thallium
• Mol File: 2570-63-0.mol
• Article Data: 1

Chemical Properties

• Melting Point: 182 °C (dec.)(lit.)
• Boiling Point: 117.1°Cat760mmHg
• Flash Point: 40°C
• Appearance: White to off-white/Crystalline Powder
• Density: 1.068g/cm³
• Storage Temp.: Poison room
• BRN: 3693590
• CAS DataBase Reference: THALLIC ACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: THALLIC ACETATE(2570-63-0)
• EPA Substance Registry System: THALLIC ACETATE(2570-63-0)

Safety Data

• Hazard Codes: T+,N
• Statements: 26/28-33-51/53-26/27/28
• Safety Statements: 13-28-45-61-36/37/39-22
• RIDADR: UN 1707 6.1/PG 2
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 2570-63-0(Hazardous Substances Data)

Usage

Chemical Properties

white to off-white crystalline powder

InChI:InChI=1/3C2H4O2.Tl/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3

Upstream product

• 64-19-7 acetic acid 
• 127-09-3 sodium acetate 

Downstream Products

• 19980-46-2 (Z)-α-Methylstyryl Acetate 
• 13266-91-6 (Z)-1-phenylprop-1-en-1-yl acetate 
• 17472-04-7 2-acetoxycyclohexanone 
• 16963-12-5 2-acetoxy-2-methyl-cyclohexanone 
• 16963-13-6 2-Methyl-6-acetoxy-cyclohexen-⁽²⁾-on 
• 19347-08-1 acetic acid 1-methyl-2-oxo-2-phenyl-ethyl ester 
• 1197-01-9 p-cymene-8-ol 
• 491-05-4 (+)-cis/trans-p-mentha-2,8-dien-1-ol 
• 1576-98-3 trans-1,4-diacetoxy-2-butene 
• 18085-02-4 1,2-diacetoxy-3-butene 
• 592-20-1 Acetol acetate 
• 563-68-8 thallium(I) acetate 
• 64-19-7 acetic acid 
• 54334-63-3 Diphenylmethylene diacetate 

Relevant articles and documents

[TIIII(dota)]: An extraordinarily robust macrocyclic complex

The X-ray structure of {C(NH2)3}[Tl(dota)]·H2O shows that the Tl3+ ion is deeply buried in the macrocyclic cavity of the dota4- ligand (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate) with average Tl-N and Tl-O distances of 2.464 and 2.365 ?, respectively. The metal ion is directly coordinated to the eight donor atoms of the ligand, which results in a twisted square antiprismatic (TSAP′) coordination around Tl3+. A multinuclear 1H, 13C, and 205Tl NMR study combined with DFT calculations confirmed the TSAP′ structure of the complex in aqueous solution, which exists as the ??(????)/Δ(????) enantiomeric pair. 205Tl NMR spectroscopy allowed the protonation constant associated with the protonation of the complex according to [Tl(dota)]- + H+ a?? [Tl(Hdota)] to be determined, which turned out to be pKHTl(dota) = 1.4 ± 0.1. [Tl(dota)]- does not react with Br-, even when using an excess of the anion, but it forms a weak mixed complex with cyanide, [Tl(dota)]- + CN- a?? [Tl(dota)(CN)]2-, with an equilibrium constant of Kmix = 6.0 ± 0.8. The dissociation of the [Tl(dota)]- complex was determined by UV-vis spectrophotometry under acidic conditions using a large excess of Br-, and it was found to follow proton-assisted kinetics and to take place very slowly (～10 days), even in 1 M HClO4, with the estimated half-life of the process being in the 109 h range at neutral pH. The solution dynamics of [Tl(dota)]- were investigated using 13C NMR spectroscopy and DFT calculations. The 13C NMR spectra recorded at low temperature (272 K) point to C4 symmetry of the complex in solution, which averages to C4v as the temperature increases. This dynamic behavior was attributed to the A → δ(σσσσ) enantiomerization process, which involves both the inversion of the macrocyclic unit and the rotation of the pendant arms. According to our calculations, the arm-rotation process limits the δ → δ(σσσσ) interconversion.