Cas no 99337-56-1 (Tetrabutylammonium (dihydrogen trifluoride))

Tetrabutylammonium dihydrogen trifluoride (TBAH?F?) is a quaternary ammonium salt widely used as a fluorinating agent in organic synthesis. Its key advantage lies in its ability to provide a controlled source of fluoride ions, facilitating nucleophilic fluorination reactions with high selectivity and efficiency. The compound is particularly valuable in the preparation of fluorinated organic molecules, where it offers improved stability and handling compared to more reactive alternatives like HF or metal fluorides. TBAH?F? is soluble in polar organic solvents, enhancing its utility in homogeneous reaction systems. Its compatibility with sensitive substrates makes it a preferred choice for fine chemical and pharmaceutical applications.
Tetrabutylammonium (dihydrogen trifluoride) structure
99337-56-1 structure
Product Name:Tetrabutylammonium (dihydrogen trifluoride)
CAS No:99337-56-1
MF:C16H38F3N
MW:301.47483587265
MDL:MFCD00145365
CID:803145
PubChem ID:87577377
Update Time:2025-05-27

Tetrabutylammonium (dihydrogen trifluoride) Chemical and Physical Properties

Names and Identifiers

    • Tetra-n-butylammonium dihydrogen trifluoride
    • Tetrabutylammonium Dihydrogen Trifluoride
    • tetrabutylazanium,fluoride,dihydrofluoride
    • tetra-n-butylammonium dihydrogentrifluoride
    • tetrabutylammonium fluoride dihydrofluoride
    • Dihydrogen tetrabutylammonium fluoride
    • tetrabutylammonium dihydrogentrifluoride
    • Tetrabutylazanium Fluoride Dihydrofluoride
    • C16H38F3N
    • MRXQMNWIADOAJY-UHFFFAOYSA-M
    • tetrabutylammoniumdihydrogentrifluoride
    • 4690AF
    • tetrabutylamonium dihydrogentrifluoride
    • tetrabutylammoniumdihydrogen trifluori
    • Tetrabutylammonium (dihydrogen trifluoride)
    • CS-0185886
    • FT-0676450
    • N,N,N-Tributylbutan-1-aminium fluoride--hydrogen fluoride (1/1/2)
    • 148305-65-1
    • MFCD00145365
    • tetrabutylammoniumfluoridedihydrofluoride
    • tetrabutylazanium;fluoride;dihydrofluoride
    • hydron;tetrabutylazanium;trifluoride
    • DTXSID20471859
    • AKOS025212300
    • 99337-56-1
    • tetrabutylammoniumdihydrogen trifluoride
    • HY-W127687
    • F77938
    • BS-43817
    • PD197279
    • tetra-n-butylammonium dihydrogentrifluorid
    • A846006
    • tetrabutyl-ammonium dihydrogen trifluoride
    • TETRABUTYLAMMONIUM ION DIHYDROFLUORIDE FLUORIDE
    • N,N,N-Tributyl-1-butanaminium fluoride hydrofluoride (1:1:2)
    • MDL: MFCD00145365
    • Inchi: 1S/C16H36N.3FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;3*1H/q+1;;;/p-1
    • InChI Key: MRXQMNWIADOAJY-UHFFFAOYSA-M
    • SMILES: F.F.[F-].[N+](CCCC)(CCCC)(CCCC)CCCC

Computed Properties

  • Exact Mass: 301.29600
  • Monoisotopic Mass: 301.29563470g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 12
  • Complexity: 116
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Color/Form: Yellow or brown transparent liquid
  • Density: 0,966 g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: 13 °C
  • PSA: 0.00000
  • LogP: 3.07300
  • Solubility: Not determined

Tetrabutylammonium (dihydrogen trifluoride) Security Information

Tetrabutylammonium (dihydrogen trifluoride) Customs Data

  • HS CODE:2923900090
  • Customs Data:

    China Customs Code:

    2923900090

    Overview:

    2923900090 Other quaternary ammonium salts and quaternary ammonium bases.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2923900090 other quaternary ammonium salts and hydroxides.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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Tetrabutylammonium (dihydrogen trifluoride) Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:99337-56-1)Tetrabutylammonium (dihydrogen trifluoride)
Order Number:A846006
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:07
Price ($):263.0

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Additional information on Tetrabutylammonium (dihydrogen trifluoride)

Comprehensive Overview of Tetrabutylammonium (dihydrogen trifluoride) (CAS No. 99337-56-1)

Tetrabutylammonium (dihydrogen trifluoride), identified by its CAS No. 99337-56-1, is a specialized chemical compound widely utilized in organic synthesis and electrochemical applications. This quaternary ammonium salt is particularly valued for its unique properties, including its ability to act as a phase-transfer catalyst and its role in facilitating fluorination reactions. The compound's molecular structure, featuring a tetrabutylammonium cation paired with a dihydrogen trifluoride anion, makes it a versatile reagent in modern chemistry.

In recent years, the demand for Tetrabutylammonium (dihydrogen trifluoride) has surged due to its applications in green chemistry and sustainable industrial processes. Researchers and manufacturers are increasingly focusing on eco-friendly alternatives, and this compound's efficiency in reducing waste and improving reaction yields aligns with these goals. Its role in electrochemical synthesis and catalysis has also garnered attention, particularly in the development of advanced materials and pharmaceuticals.

One of the most frequently searched topics related to CAS No. 99337-56-1 is its stability and handling. While the compound is generally stable under recommended storage conditions, users often inquire about optimal storage temperatures and compatibility with other reagents. Proper storage in a cool, dry environment, away from moisture and strong oxidizers, is essential to maintain its efficacy. Additionally, its solubility in common organic solvents like acetonitrile and dimethyl sulfoxide (DMSO) makes it a preferred choice for many laboratory applications.

The compound's significance in fluorination reactions cannot be overstated. Fluorinated compounds are pivotal in the pharmaceutical industry, where they enhance the bioavailability and metabolic stability of drugs. Tetrabutylammonium (dihydrogen trifluoride) serves as a mild yet effective fluorinating agent, enabling the introduction of fluorine atoms into organic molecules with high precision. This capability has made it indispensable in the synthesis of active pharmaceutical ingredients (APIs) and agrochemicals.

Another area of interest is the compound's use in ionic liquid research. Ionic liquids are gaining traction as green solvents due to their low volatility and recyclability. The tetrabutylammonium cation, combined with the dihydrogen trifluoride anion, contributes to the development of novel ionic liquids with tailored properties for specific applications. This aligns with the growing trend of sustainable chemistry and the search for alternatives to traditional volatile organic compounds (VOCs).

From a safety perspective, users often search for guidelines on handling Tetrabutylammonium (dihydrogen trifluoride). While it is not classified as a hazardous material, standard laboratory precautions, such as wearing gloves and eye protection, are recommended. The compound's material safety data sheet (MSDS) provides detailed information on its physical and chemical properties, ensuring safe usage in both academic and industrial settings.

In conclusion, Tetrabutylammonium (dihydrogen trifluoride) (CAS No. 99337-56-1) is a multifaceted compound with broad applications in synthetic chemistry, electrochemistry, and materials science. Its role in advancing green chemistry and sustainable industrial processes underscores its importance in contemporary research and development. As the demand for efficient and environmentally friendly reagents grows, this compound is poised to remain a cornerstone of innovative chemical solutions.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:99337-56-1)Tetrabutylammonium (dihydrogen trifluoride)
A846006
Purity:99%
Quantity:25g
Price ($):263.0
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