Description

1-Trifluoromethyl-1,2-Benziodoxol-3(1H)-One is a specialized hypervalent iodine(III) reagent, widely recognized as a powerful and selective trifluoromethylating agent. Its primary value lies in enabling the efficient and direct introduction of the trifluoromethyl (CF3) group into organic molecules, a critical transformation in modern synthetic chemistry. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials industries, where the incorporation of fluorine atoms is key to enhancing the metabolic stability, lipophilicity, and bioavailability of target compounds.

Application

• Pharmaceutical Intermediate Synthesis: Key reagent for the late-stage trifluoromethylation of complex drug candidates and bioactive molecules.
• Agrochemical Development: Used in the synthesis of novel herbicides, fungicides, and insecticides containing the CF3 moiety for improved efficacy.
• Material Science Research: Facilitates the creation of fluorinated polymers, liquid crystals, and electronic materials with tailored properties.
• Radiochemistry & Tracer Synthesis: Employed in the preparation of 18F-labeled compounds and other fluorinated tracers for Positron Emission Tomography (PET) imaging.
• Academic & Process R&D: A staple reagent in method development and scalable process chemistry for C–CF3 bond formation.
• Fine Chemical Production: Enables the manufacture of high-value, fluorinated specialty chemicals and building blocks.

Basic Information

Product Name	1-Trifluoromethyl-1,2-Benziodoxol-3(1H)-One
CAS No.	887144-94-7
Molecular Formula	C8H4F3IO2
Molecular Weight	316.02 g/mol
Synonyms	Togni Reagent II; 3-Oxo-1-(trifluoromethyl)-1λ3,2-benziodoxole; 1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one; (Trifluoromethyl)benziodoxolone; CF3-Benziodoxole; Trifluoromethylating Reagent II
EINECS	Contact for details

Quality Control

Our production of 1-Trifluoromethyl-1,2-Benziodoxol-3(1H)-One adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for demanding synthetic applications. All materials are characterized by modern analytical techniques including NMR, HPLC, and elemental analysis. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment to support your quality assurance and regulatory documentation.

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). Keep away from heat, sparks, and incompatible materials such as strong reducing agents. Due to its nature as a strong oxidizer, store separately from flammable or combustible substances.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Heavy Metals	≤ 20 ppm

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