Cas no 38542-94-8 (Ammonium Triflate)

Ammonium Triflate (Ammonium Trifluoromethanesulfonate, NH?OTf) is a highly soluble and thermally stable salt widely used as a catalyst or reagent in organic synthesis. Its strong triflate anion (OTf?) makes it an effective Lewis acid catalyst, particularly in Friedel-Crafts alkylations, acylations, and other electrophilic reactions. The compound exhibits excellent stability under harsh conditions, including high temperatures and acidic environments, ensuring consistent performance. Its hygroscopic nature and high solubility in polar solvents like water, alcohols, and acetonitrile facilitate homogeneous reaction conditions. Ammonium Triflate is also valued for its low nucleophilicity, minimizing side reactions. These properties make it a versatile choice in pharmaceuticals, polymer chemistry, and fine chemical synthesis.
Ammonium Triflate structure
Ammonium Triflate structure
Product Name:Ammonium Triflate
CAS No:38542-94-8
MF:CH4F3NO3S
MW:167.107569694519
MDL:MFCD00075332
CID:304381
PubChem ID:24861356
Update Time:2025-05-27

Ammonium Triflate Chemical and Physical Properties

Names and Identifiers

    • Methanesulfonic acid,1,1,1-trifluoro-, ammonium salt (1:1)
    • AMMONIUM TRIFLUOROMETHANESULFONATE
    • azanium,trifluoromethanesulfonate
    • Ammonium triflate
    • Ammonium Triflate
    • MDL: MFCD00075332
    • Inchi: 1S/CHF3O3S.H3N/c2-1(3,4)8(5,6)7;/h(H,5,6,7);1H3
    • InChI Key: BMWDUGHMODRTLU-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(=O)(=O)[O-].[NH4+]

Computed Properties

  • Exact Mass: 166.98600
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 158
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Topological Polar Surface Area: 55.4

Experimental Properties

  • Melting Point: 224-226?°C (lit.)
  • PSA: 65.99000
  • LogP: 1.79870

Ammonium Triflate Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-37/39
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

Ammonium Triflate 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%

Ammonium Triflate Pricemore >>

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Ammonium Triflate Production Method

Ammonium Triflate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:38542-94-8)Ammonium Triflate
Order Number:A873819
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:41
Price ($):324.0

Additional information on Ammonium Triflate

Ammonium Triflate (CAS No. 38542-94-8): An Overview of Its Properties, Applications, and Recent Research Advances

Ammonium Triflate (CAS No. 38542-94-8) is a versatile and highly efficient reagent in the field of organic synthesis and catalysis. This compound, also known as ammonium trifluoromethanesulfonate, is a white crystalline solid that is highly soluble in water and many organic solvents. Its unique properties make it an indispensable tool in various chemical processes, particularly in the synthesis of complex organic molecules and pharmaceuticals.

The chemical formula of Ammonium Triflate is NH4OTf, where OTf represents the triflate anion (CF3SO3-). The triflate anion is a strong leaving group, which makes Ammonium Triflate an excellent reagent for promoting nucleophilic substitution reactions, such as SN1 and SN2 reactions. Additionally, the triflate anion is a good counterion for forming stable salts with various cations, making it useful in the preparation of ionic liquids and other specialized materials.

In recent years, Ammonium Triflate has gained significant attention due to its applications in green chemistry and sustainable processes. One of the key advantages of this reagent is its low toxicity and environmental impact compared to traditional reagents like triflic acid (CF3SO3H). This has led to its increased use in industrial processes where environmental considerations are paramount.

Ammonium Triflate is also widely used as a catalyst in various organic transformations. For example, it has been shown to be an effective catalyst for the Friedel-Crafts alkylation and acylation reactions, which are fundamental steps in the synthesis of aromatic compounds. The high activity and selectivity of Ammonium Triflate in these reactions make it a preferred choice over traditional Lewis acids like aluminum chloride (AlCl3) or boron trifluoride (BF3). Recent studies have further explored its catalytic potential in asymmetric synthesis, where it has been used to achieve high enantioselectivities in the synthesis of chiral compounds.

Beyond its role as a reagent and catalyst, Ammonium Triflate has found applications in the preparation of advanced materials. For instance, it has been used as a dopant in the synthesis of conductive polymers and as a precursor for the preparation of metal-organic frameworks (MOFs). These materials have potential applications in areas such as gas storage, separation technologies, and catalysis.

In the pharmaceutical industry, Ammonium Triflate plays a crucial role in the synthesis of active pharmaceutical ingredients (APIs). Its ability to promote selective transformations and form stable intermediates makes it valuable in the development of new drugs. Recent research has focused on optimizing synthetic routes using Ammonium Triflate to improve yields and reduce waste, aligning with the principles of green chemistry.

The safety profile of Ammonium Triflate is another important aspect that has been extensively studied. While it is generally considered safe for use in laboratory settings when proper handling procedures are followed, it is important to note that it can be corrosive to certain materials. Therefore, appropriate personal protective equipment (PPE) should always be used when handling this compound.

In conclusion, Ammonium Triflate (CAS No. 38542-94-8) is a multifaceted compound with a wide range of applications in organic synthesis, catalysis, materials science, and pharmaceuticals. Its unique properties and low environmental impact make it an attractive choice for researchers and industrial chemists alike. As research continues to uncover new uses and improvements for this compound, its importance in various scientific fields is likely to grow even further.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:38542-94-8)Ammonium Triflate
A873819
Purity:99%
Quantity:100g
Price ($):324.0
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