Description

S-(Trifluoromethyl)-3,7-Dinitrodibenzothiophenium Trifluoromethanesulfonate is a high-purity, specialized organosulfur salt used as a critical reagent in advanced organic synthesis. Its primary value lies in its role as a powerful electrophilic trifluoromethylating agent, enabling the efficient introduction of the trifluoromethyl (CF3) group into complex molecular architectures. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors, where the CF3 moiety is sought after for its ability to modulate the bioavailability, metabolic stability, and physicochemical properties of target molecules.

Application

• Pharmaceutical Intermediate Synthesis: Key reagent for the late-stage trifluoromethylation of drug candidates to enhance potency and ADMET properties.
• Agrochemical Development: Used in creating novel herbicides, fungicides, and insecticides where the CF3 group improves biological activity and environmental stability.
• Advanced Material Precursor: Employed in the synthesis of fluorinated polymers, liquid crystals, and organic electronic materials.
• Radiopharmaceutical Labeling: Potential use in the synthesis of fluorine-18 labeled compounds for Positron Emission Tomography (PET) imaging.
• Academic & Process Research: A valuable tool for methodology development in organofluorine chemistry and asymmetric synthesis.
• Fine Chemical Manufacturing: Serves as a building block for producing other high-value, fluorinated specialty chemicals.

Basic Information

Product Name	S-(Trifluoromethyl)-3,7-Dinitrodibenzothiophenium Trifluoromethanesulfonate
CAS No.	129922-37-8
Molecular Formula	C16H6F6N2O7S2
Molecular Weight	516.35 g/mol
Synonyms	3,7-Dinitro-S-(trifluoromethyl)dibenzothiophenium Triflate; S-(Trifluoromethyl)dibenzothiophenium Salt; Trifluoromethanesulfonic Acid S-(Trifluoromethyl)-3,7-dinitrodibenzothiophenium Ester; CF3-DBT-TfO; Electrophilic Trifluoromethylation Reagent; Umemoto's Reagent (Second Generation); Togni Reagent Alternative; Trifluoromethylating Agent
EINECS	Contact for details

Quality Control

Every batch of S-(Trifluoromethyl)-3,7-Dinitrodibenzothiophenium Trifluoromethanesulfonate is manufactured and tested under strict quality management systems to ensure high purity, batch-to-batch consistency, and reliable performance in sensitive synthetic applications. Our products undergo rigorous quality testing to ensure compliance with industry standards. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This material is hygroscopic (moisture-sensitive) and must be kept under an inert atmosphere (e.g., argon or nitrogen) in its original packaging to prevent decomposition. Keep away from incompatible materials such as strong bases and reducing agents.

Specification

Item	Specification
Appearance	Yellow to orange crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.