Pentafluorophenyl 4-Nitrobenzenesulfonate TCI P2231

Chemical Identity

CAS No.: 244633-31-6
PubChem: CID 2783096·SID 253660597
Formula: C12H4F5NO5S
Molecular weight: 369.22 g/mol
Purity: >98.0%(GC)

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: (2,3,4,5,6-pentafluorophenyl) 4-nitrobenzenesulfonate
SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChIKey: DQKVZFMQPLLPMR-UHFFFAOYSA-N

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Pentafluorophenyl 4-Nitrobenzenesulfonate is a synthetic reagent widely used in organic chemistry for its role in coupling reactions. This compound is essential in the synthesis of complex organic molecules, particularly in the development of heterocyclic compounds and fluoro-based organic materials. Its unique structure, featuring multiple fluorine atoms, enhances its reactivity and makes it a valuable tool for chemists working on advanced synthetic pathways. The compound is commonly used in research settings where precise control over reaction conditions is required.

The compound's high reactivity and polarity make it a preferred choice for synthetic chemists. Its polar nature allows it to dissolve well in organic solvents such as ethyl acetate and chloroform, which is crucial for reaction efficiency. The presence of fluorine atoms also contributes to its stability and reactivity, enabling it to participate effectively in electrophilic substitution and chain activation reactions. These properties make it ideal for applications requiring controlled reactivity and compatibility with various substrates.

In Indonesian laboratories, Pentafluorophenyl 4-Nitrobenzenesulfonate is commonly used in organic synthesis research, especially in laboratories focused on the development of new compounds and catalytic methods. It is also utilized in pharmaceutical and materials chemistry research, where its reactivity and solubility properties are highly beneficial. Its role in these fields underscores its importance in modern chemical research.

TCI brochures (PDF)

Condensing Agents 2025-11-18 · p. 5
Fluorous Chemistry 2025-01-21 · p. 10
Amino Acids and Peptide Synthesis Reagents 2025-08-14 · p. 40
Fluorination Reagents, Fluorinated Building Blocks 2026-03-18 · p. 36

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Organic synthesis research - This reagent is ideal for creating complex organic molecules due to its reactivity and solubility in organic solvents.
Heterocyclic compound development - The compound's structure supports the synthesis of heterocyclic compounds, making it a key reagent in this field.
Fluoro-based material synthesis - Its fluorine content makes it suitable for producing materials with specific chemical and physical properties.
Catalytic method development - The compound's ability to participate in chain activation reactions makes it useful in catalytic research.
Pharmaceutical research - Its reactivity and solubility properties are beneficial in the development of new drug compounds and related studies.

Brand	TCI
CAS number	244633-31-6
Molecular formula	—
Purity	—
Category	Chemistry > Synthetic Reagents > Coupling [Synthetic Reagents]
Pack sizes	—
Physical form	—
Storage	Store in a cool, dry place away from light and moisture

This compound should be stored in a cool, dry place, away from direct light and moisture to maintain its stability and reactivity. It is recommended to use airtight containers to prevent exposure to air and moisture, which could affect its chemical integrity. In a laboratory setting, proper personal protective equipment such as gloves and safety goggles should be worn when handling the compound to ensure safety. Due to its reactivity, it should be handled in a well-ventilated area to minimize any potential hazards. Regular monitoring of storage conditions is essential to ensure the compound remains in optimal condition for use in chemical reactions.

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