Pentafluoroanilinium Trifluoromethanesulfonate TCI P1626

Chemical Identity

CAS No.: 912823-79-1
PubChem: CID 44629800·SID 87558623
Formula: C7H3F8NO3S
Molecular weight: 333.16 g/mol
Purity: >98.0%(HPLC)(T)
Reference databases: ChemSpider·ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: (2,3,4,5,6-pentafluorophenyl)azanium;trifluoromethanesulfonate
SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)[NH3+].C(F)(F)(F)S(=O)(=O)[O-]
InChIKey: YFUMMJNKHHASQS-UHFFFAOYSA-N

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Pentafluoroanilinium Trifluoromethanesulfonate is a chemical compound widely used in laboratory settings, particularly in catalysis and inorganic chemistry. It plays a crucial role in condensation reactions, where it functions as a catalyst or reagent to accelerate chemical processes without being consumed in the final product. This compound is essential for researchers aiming to synthesize complex organic and inorganic compounds efficiently. Its unique chemical structure, comprising the pentafluoroanilinium ion and the trifluoromethanesulfonate ion, contributes to its effectiveness in various synthetic pathways.

One of the key properties that make this compound a preferred choice is its chemical stability and solubility in organic solvents. Its polar nature allows it to dissolve well in a range of solvents, making it versatile for different reaction conditions. Additionally, its ability to interact with a wide variety of substrates enhances its utility in diverse chemical applications. These characteristics ensure that it remains a reliable and efficient reagent in both academic and industrial research environments.

In Indonesian laboratories, this compound is commonly used in chemical research, especially in the fields of catalysis and the synthesis of complex compounds. Its role in accelerating reactions and maintaining stability under various conditions makes it a valuable tool for scientists working on advanced chemical processes. Researchers in Indonesia often rely on this compound for its consistent performance and adaptability in different experimental setups.

Advantages (TCI brochure)

Higher activity than DPAT
Applicable widely to esterification and lactonization
Can be removed after work-up by NaOH aqueous washing

TCI brochures (PDF)

Powerful Condensation Organocatalysts 2018-01-25 · p. 2
Condensing Agents 2025-11-18 · p. 3

Related TCI products

Catalytic reactions in organic synthesis due to its ability to accelerate condensation processes without being consumed.
Inorganic chemistry experiments requiring stable and reactive catalysts for complex compound formation.
Research in condensation reactions where high reactivity and chemical stability are essential for successful outcomes.
Development of new synthetic pathways in academic and industrial laboratories for advanced chemical applications.
Chemical process optimization in laboratories aiming to enhance reaction efficiency and product yield.

From the TCI brochure

Esterification and lactonization

Brand	TCI
CAS number	912823-79-1
Molecular formula	—
Purity	—
Category	Chemistry > Catalysis and Inorganic Chemistry > Condensation [Catalysis]
Pack sizes	Available in various quantities as per supplier specifications
Physical form	Solid or powder, depending on formulation
Storage	Store in a cool, dry place away from moisture and direct sunlight

Data from the TCI brochure

Yield (R1 = PhCH2CH2, R2 = CH2=CH(CH2)8, 3 h)	96% (1 mol%, toluene, 80 °C)
Yield (R1 = tBu, R2 = CH3(CH2)7, 6 h)	90% (1 mol%, toluene, 80 °C)

Source: TCI brochure R5113 (2025-11-18)

This compound should be stored in a cool, dry environment to maintain its chemical stability. It is recommended to use airtight containers to prevent exposure to moisture and air, which could affect its performance. Due to its polar nature, it is important to handle it with care during preparation and use to avoid contamination. Laboratory personnel should ensure proper ventilation when working with this material. Avoid direct contact with skin and eyes, and use appropriate personal protective equipment. The compound should not be stored near incompatible substances to prevent any potential chemical interactions.

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