3003-15-4

Basic information

• Product Name: trimethylthallane
• Synonyms: trimethylthallane;Trimethylthallium;(CH3)3TL;Trimethylthallium(III)
• CAS NO: 3003-15-4
• Molecular Formula: C₃H₉Tl
• Molecular Weight: 265.48
• Mol File: 3003-15-4.mol
• Article Data: 3

Chemical Properties

• Melting Point: 38.5°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /solid
• Density: g/cm³
• CAS DataBase Reference: trimethylthallane(CAS DataBase Reference)
• NIST Chemistry Reference: trimethylthallane(3003-15-4)
• EPA Substance Registry System: trimethylthallane(3003-15-4)

Safety Data

• Hazardous Substances Data: 3003-15-4(Hazardous Substances Data)

Usage

InChI:InChI=1/3CH3.Tl/h3*1H3;/rC3H9Tl/c1-4(2)3/h1-3H3

Upstream product

• 60-29-7 diethyl ether 
• 917-54-4 methyllithium 
• 74-88-4 methyl iodide 

Downstream Products

• 1309834-01-2 bis(μ-2,6-diisopropylphenoxy)tetramethyldithallium(III) 
• 31392-57-1 bis(μ-phenoxy)tetramethyldithallium(III) 
• 1309834-00-1 bis(μ-2,6-dimethylphenoxy)tetramethyldithallium(III) 
• 1309834-02-3 bis(μ-2,6-diphenylphenoxy)tetramethyldithallium(III) 
• 1356176-25-4 [(TlMe₂(benzeneselenolate))2] 
• 64561-36-0 Me2Tl(μ-thiophenolato)2TlMe2 
• 1356930-57-8 [(CH₃)2TlS(C₆H₅)(Tl(CH₃)3)]2 
• 16834-15-4 dimethyl(thiophenolato)thallium(III) 
• 593-74-8 dimethylmercury 

Relevant articles and documents

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Structural effects of varied steric bulk in 2,(4),6-substituted dimethylthallium(III) phenoxides

The structural effects of varied steric bulk on 2,(4),6-substituted dimethylthallium(III) phenoxides has been examined. The facile reaction of Me3Tl with a series of 2,(4),6-substituted phenols in toluene or diethyl ether resulted in the formation of the species [Me2TlO(2,6- R2C6H3)]2 [R = H (4), Me (5), iPr (6), Ph (7)] and [Me2TlO(2,4,6-tBu3C6H 2)] (8). All compounds have been characterized by elemental analysis as well as their melting point; FTIR, FT-Raman, solution 1H and 13C{1H} NMR spectroscopy; and X-ray crystallography. The structures of 4-7 are dimeric through short intermolecular Tl-O interactions, which yield a symmetric Tl2O2 unit and a distorted seesaw C2O2 bonding environment for thallium. An increase in the steric bulk in 4-6 has little effect on Tl-O bond lengths, whereas the C Me-Tl-CMe bond angle was found to significantly decrease. Further, the phenoxide ligands in 5 and 6 were found to be oriented perpendicular to the Tl2O2 unit to minimize steric interactions. Alternatively, compound 7 shows an increase in Tl-O bond lengths and an increase in the CMe-Tl-CMe bond angle compared to 4-6, and orientation of the phenoxide ligands perpendicular to the Tl 2O2 core. The significant steric bulk imposed by the -O(2,4,6-tBu3C6H2) ligand in 8 precludes dimer formation and allows for isolation of a monomeric species that contains a three-coordinate T-shaped C2O bonding environment for thallium. DFT calculations show that the energetic favorability of dimer formation decreases with increased phenoxide steric bulk.