Description

5-Chloro-3-Trifluoromethylbenzo[B]Thiophene-2-Carboxylic Acid Methyl Ester is a high-value, multi-functional heterocyclic building block designed for advanced organic synthesis. This compound matters for its unique molecular architecture, which combines a halogenated benzothiophene core with a trifluoromethyl group and an ester functionality, enabling precise modifications in target molecules. It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: A key synthon in the research and development of new drug candidates, particularly for central nervous system (CNS) and anti-inflammatory targets.
• Agrochemical Synthesis: Serves as a versatile precursor for developing advanced herbicides, fungicides, and insecticides with enhanced efficacy.
• Material Science Research: Used in the synthesis of novel organic electronic materials, such as semiconductors and light-emitting compounds.
• Ligand and Catalyst Development: The benzothiophene scaffold is valuable for constructing complex ligands used in catalytic systems.
• Fluorinated Compound Library: An essential building block for medicinal chemistry programs focused on incorporating the metabolically stable trifluoromethyl group.
• Custom Synthesis and Contract Manufacturing: Supplied to CDMOs for the production of bespoke compounds and non-commercial scale-up projects.

Basic Information

Product Name	5-Chloro-3-Trifluoromethylbenzo[B]Thiophene-2-Carboxylic Acid Methyl Ester
CAS No.	617706-21-5
Molecular Formula	C11H6ClF3O2S
Molecular Weight	294.68 g/mol
Synonyms	Methyl 5-Chloro-3-(trifluoromethyl)benzo[b]thiophene-2-carboxylate; 5-Chloro-3-trifluoromethyl-1-benzothiophene-2-carboxylic Acid Methyl Ester; 5-Chloro-3-(trifluoromethyl)benzo[b]thiophene-2-carboxylic Acid Methyl Ester; Benzo[b]thiophene-2-carboxylic acid, 5-chloro-3-(trifluoromethyl)-, methyl ester; Methyl 5-chloro-3-(trifluoromethyl)-1-benzothiophene-2-carboxylate
EINECS	Contact for details

Quality Control

Our 5-Chloro-3-Trifluoromethylbenzo[B]Thiophene-2-Carboxylic Acid Methyl Ester is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our commitment to quality supports your R&D and scale-up processes with reliable, high-purity material.

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 incompatible materials such as strong bases and fluorides. For long-term storage, consider storing under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference standard
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

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