A well-known organosilicon compound is tetrabutylammonium difluorotriphenylsilicate (TBAT), CAS 163931-61-1. It performs important tasks in a number of high-tech industries. This substance is a specialized fluorination reagent and is frequently referred to by the acronym TBAT. Its effectiveness in intricate chemical processes is made possible by its special structure. In particular, its function as a fluoride source in synthesis makes it indispensable for the production of sophisticated materials and medications. For engineers and chemical specialists, this article offers a thorough analysis of its characteristics, requirements, uses, and safety precautions.
Tetrabutylammonium Difluorotriphenylsilicate’s Chemical Characteristics
Correct application of a substance requires an understanding of its basic chemical properties. Tetrabutylammonium difluorotriphenylsilicate’s behavior and applications are determined by its unique molecular structure. It is composed of a difluorotriphenylsilicate anion and a large, non-coordinating tetrabutylammonium cation. This combination significantly influences its solubility and reactivity profile.
The molecular formula for the compound is C34H51F2NSi. The presence of carbon, hydrogen, fluorine, nitrogen, and silicon atoms is thus indicated by this formula. The estimated molecular weight is 539.86 g/mol. For stoichiometric calculations in chemical reactions, this information is necessary. This value is widely used by chemists to forecast reaction yields and calculate reactant quantities. Additionally, TBAT, the substance’s primary synonym, is used to identify it. In technical writing and lab settings, this acronym provides a practical shorthand. The presence of the difluorotriphenylsilicate anion is a key feature. It offers fluoride ions in an organic-soluble, non-aqueous form that is easily accessible. In many applications involving organic synthesis, this feature makes it a better option than conventional inorganic fluoride sources.

Specifications and Purity of Tetrabutylammonium Difluorotriphenylsilicate (TBAT) CAS 163931-61-1
A chemical reagent’s purity and conformity to specifications are directly related to its performance. These parameters are strictly regulated for Tetrabutylammonium difluorotriphenylsilicate in order to guarantee consistent and dependable outcomes in delicate applications. The primary measure of quality is its purity level. The standard purity specification for technical and research-grade material is 97 percent. Quantitative Nuclear Magnetic Resonance (qNMR) is the standard analytical method to verify this high level of purity. The active compound can be precisely quantified using this method in comparison to a recognized standard.
The material’s physical appearance is an important first quality check in addition to purity. TBAT typically appears as a white to off-white solid. Any notable change in form or color could indicate the presence of contaminants or deterioration. Visual inspection is therefore a standard component of quality control processes. The main technical requirements for TBAT CAS 163931-61-1 are listed in the table below.
| Specification | Value / Description | Method |
| Product Name | Tetrabutylammonium Difluorotriphenylsilicate | – |
| Synonyms | TBAT | – |
| CAS Number | 163931-61-1 | – |
| Molecular Formula | C34H51F2NSi | – |
| Molecular Weight | 539.86 g/mol | Calculated |
| Purity | ≥97.0% | qNMR |
| Appearance | White to off-white solid (crystalline/powder) | Visual |
| Melting Point | Not specified (Varies with purity) | DSC/MPA |
| Solubility | Soluble in many organic solvents (e.g., THF, CH2Cl2) | Experimental |
| Moisture Content | ≤0.5% | Karl Fischer |
| InChI Key | XZJCFGGLDOGIEO-UHFFFAOYSA-M | IUPAC |
These specifications are important for researchers and process chemists. Whether in a large-scale industrial process or a laboratory experiment, they use this data to confirm that the material is suitable for its intended use. For instance, because the compound is hygroscopic, low moisture content is especially important. The silicate anion can hydrolyze in the presence of too much moisture.
Tetrabutylammonium Difluorotriphenylsilicate’s Industrial Uses
Tetrabutylammonium difluorotriphenylsilicate’s unique characteristics result in a number of lucrative industrial uses. Its main function is that of a specialized chemical reagent. The substance is well known for being a mild and effective TBAT fluorination reagent. With great selectivity and under mild reaction conditions, it adds fluoride ions to organic molecules. This process is fundamental in the synthesis of fluorinated pharmaceuticals, agrochemicals, and advanced polymers. The reagent is soluble in common organic solvents due to the organic cation. In contrast to inorganic fluoride salts, this promotes homogeneous reaction conditions and enhances reaction rates and yields.
TBAT also acts as a catalyst for phase transitions. TBAT has the ability to transfer reactive anions from the aqueous phase to the organic phase in biphasic reaction systems, in which the reactants are in distinct immiscible liquid phases. Reactions that would otherwise be unfeasible slow are accelerated by this catalytic action. Its effectiveness as a biphasic reaction catalyst makes it useful in the production of specialty chemicals.
This organosilicon compound has applications in materials science beyond synthesis. As a cleaning agent for plastics and delicate electronic parts, it is occasionally used. It is possible to precisely control its capacity to function as a surface modifier or mild etchant. As a lubricant and stabilizer additive, it is used in another application. It can improve thermal stability and lower friction when added to specific polymer or lubricant formulations. The durability and functionality of the finished products are improved by these fluorination modifications. Tetrabutylammonium difluorotriphenylsilicate’s adaptability guarantees its ongoing significance in a range of specialized industrial processes.
Guidelines for TBAT CAS 163931-61-1 Safety and Handling
When handling any chemical reagent, it is important to follow the right safety and handling protocols. This also applies to tetrabutylammonium difluorotriphenylsilicate. To reduce risks, all employees must adhere to established laboratory and industrial safety procedures. The first step is to consult the material safety data sheet (MSDS) for the compound. The MSDS offers thorough details on handling safety measures, potential risks, and emergency protocols.
Personnel should always wear the proper personal protective equipment (PPE) when handling TBAT. This includes safety goggles or a face shield, chemical-resistant gloves (such as nitrile or neoprene), and a lab coat. A well-ventilated area is ideal for handling. To avoid breathing in any dust or vapors, a chemical fume hood is usually advised. If unintentional skin or eye contact occurs, the affected area should be thoroughly rinsed with water for at least 15 minutes. Then, get medical help.
In order to preserve the compound’s stability and purity, storage conditions are also necessary. Because TBAT is hygroscopic, it easily takes in moisture from the atmosphere. It must therefore be kept in a cool, dry, and well-ventilated location in a container that is tightly sealed. It must be kept away from incompatible substances like strong acids and oxidizing agents. The integrity of the chemical and worker safety are both enhanced by taking these safe handling and storage precautions. Local, state, and federal laws pertaining to chemical waste must also be followed when disposing of waste.
Common Questions Regarding CAS 163931-61-1 Tetrabutylammonium Difluorotriphenylsilicate
What is TBAT’s molecular formula?
C34H51F2NSi is the molecular formula.
What is TBAT’s molecular weight?
539.86 g/mol is the molecular weight.
How pure is TBAT?
qNMR analysis confirmed that the standard purity is ≥97%.
Which are the main uses for TBAT?
Its main application in chemical synthesis, especially for fluorination reactions, is as a mild and soluble source of fluoride. It also serves as a catalyst for phase transitions.
What safety measures need to be followed when working with TBAT?
The material safety data sheet’s (MSDS) instructions should always be followed. This entails storing it in a cool, dry location away from moisture.