3419-99-6

Basic information

• Product Name: TETRA-N-BUTYLAMMONIUM BROMODIIODIDE
• Synonyms: TETRA-N-BUTYLAMMONIUM BROMODIIODIDE;Tetra-n-butylammoniumbromodiiodide96+%t;Tetrabutylammonium Bromodiiodide
• CAS NO: 3419-99-6
• Molecular Formula: C16H36BrI2N
• Molecular Weight: 576.18
• Product Categories: Ammonium Polyhalides, etc. (Quaternary);Quaternary Ammonium Compounds
• Mol File: 3419-99-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 58 °C
• Appearance: /
• CAS DataBase Reference: TETRA-N-BUTYLAMMONIUM BROMODIIODIDE(CAS DataBase Reference)
• NIST Chemistry Reference: TETRA-N-BUTYLAMMONIUM BROMODIIODIDE(3419-99-6)
• EPA Substance Registry System: TETRA-N-BUTYLAMMONIUM BROMODIIODIDE(3419-99-6)

Safety Data

• Hazardous Substances Data: 3419-99-6(Hazardous Substances Data)

Usage

Uses

Tetrabutylammonium bromodiiodide (CAS# 3419-99-6) is a redox active compound used in the preparation of organic superconductors, such as methylenedithiotetraselenafulvalenium halide superconductors.

Upstream product

• 1643-19-2 tetrabutylammomium bromide 

Downstream Products

• 1643-19-2 tetrabutylammomium bromide 

Relevant articles and documents

Structure and Stability of Quaternary Ammonium Interhalides: Experimental and Quantum-Chemical Study

The electronic structure of a series of ammonium interhalides [R 1R2R3R4N]XI2, where R1 = CH3, C2H5, C3H 7, F, H; R2 = R3 = R4 = CH 3, H; X = Cl, Br, I, was studied by ab initio calculations (RHF/3-21G, RHF/HW, MP2/HW). The thermodynamic stability of these compounds correlates with the strength of the hydrogen bond N-H...X and three-center interhalide bond X-I-I. Calculations confirmed that, in polar solvents, these compounds preferably decompose to [R1R2R3R 4N]+ and XI2- (with subsequent decomposition of the anion), and in nonpolar solvents, to the neutral species [R1R2R3R4N]X and I2. The calculation results were compared to the experimental data obtained by single crystal X-ray diffraction, 1H NMR spectroscopy, and spectrophotometry.