Description

2-(Trifluoromethylthio)Benzoic Acid is a specialized fluorinated aromatic building block characterized by the presence of both a trifluoromethylthio (-SCF₃) and a carboxylic acid functional group. This unique structure makes it a high-value intermediate for synthesizing advanced molecules with tailored properties, particularly in the pharmaceutical and agrochemical sectors. It is primarily sought after by R&D chemists and process development scientists for creating novel active ingredients, functional materials, and ligands. The compound, identified by CAS No. 37526-67-3, offers a strategic combination of lipophilicity and electronic influence critical for modern molecular design.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), especially those requiring the metabolically stable and lipophilic -SCF₃ moiety to enhance membrane permeability and bioavailability.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides where the trifluoromethylthio group can improve biological activity and environmental stability.
• Material Science Precursor: Serves as a monomer or functionalization agent for developing specialty polymers, liquid crystals, and organic electronic materials with specific surface properties.
• Ligand and Catalyst Development: Employed in organometallic chemistry to create novel ligands for catalysis, leveraging the electron-withdrawing nature of the -SCF₃ group to tune metal center reactivity.
• Chemical Research & Development: A versatile scaffold in medicinal and synthetic chemistry for structure-activity relationship (SAR) studies and the exploration of new chemical entities.

Basic Information

Product Name	2-(Trifluoromethylthio)Benzoic Acid
CAS No.	37526-67-3
Molecular Formula	C₈H₅F₃O₂S
Molecular Weight	222.18 g/mol
Synonyms	2-[(Trifluoromethyl)sulfanyl]benzoic acid; Benzoic acid, 2-[(trifluoromethyl)thio]-; o-(Trifluoromethylthio)benzoic acid; 2-(Trifluoromethylsulfanyl)benzoic acid; 2-(Trifluoromethylmercapto)benzoic acid; α-(Trifluoromethylthio)benzoic acid; NSC 403714
EINECS	Contact for details

Quality Control

Our production of 2-(Trifluoromethylthio)Benzoic Acid adheres to stringent internal quality standards to ensure batch-to-batch consistency and reliability for your synthetic processes. We employ advanced analytical techniques including HPLC, GC, NMR, and IR spectroscopy for comprehensive identity, purity, and impurity profile verification. A Certificate of Analysis (COA) detailing all relevant specifications is provided with each shipment. For customers with specific regulatory or application needs, we can discuss custom purity grades and additional testing protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). This compound is sensitive to strong bases and fluorides; keep away from incompatible materials. For long-term storage, consider using an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Related Substances (HPLC)	Individual impurity ≤ 0.5%, Total impurities ≤ 1.5%
Heavy Metals	≤ 20 ppm

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