Description

Methyl 2-Cyano-3-(Trifluoromethyl)Benzoate is a high-value, multi-functional chemical intermediate characterized by its benzoate ester core, cyano group, and trifluoromethyl substituent. This unique structure makes it a critical building block for synthesizing advanced molecules, particularly in the pharmaceutical and agrochemical sectors. It is primarily sought after by R&D chemists and process development scientists for constructing complex heterocycles and active ingredients. The compound, CAS NO 1211596-75-6, is essential for innovators requiring precise molecular architecture to develop new products with enhanced properties.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of active pharmaceutical ingredients (APIs), especially those targeting central nervous system (CNS) disorders, inflammation, and oncology.
• Agrochemical Synthesis: Serves as a building block for novel herbicides, fungicides, and insecticides, leveraging the stability and lipophilicity imparted by the trifluoromethyl group.
• Ligand and Catalyst Development: Used in research to create specialized ligands for catalysis and metal-organic frameworks (MOFs).
• Material Science Research: Employed in the development of advanced polymers and organic electronic materials due to its electron-withdrawing functional groups.
• Custom Synthesis and Contract Manufacturing: A vital starting material for custom synthesis houses serving the life sciences industry.
• Fluorine Chemistry Studies: An important compound for academic and industrial research focused on incorporating fluorine atoms into complex molecules to modulate their bioactivity and physical properties.

Basic Information

Product Name	Methyl 2-Cyano-3-(Trifluoromethyl)Benzoate
CAS No.	1211596-75-6
Molecular Formula	C10H6F3NO2
Molecular Weight	229.16 g/mol
Synonyms	Methyl 2-cyano-3-(trifluoromethyl)benzoate; Benzoic acid, 2-cyano-3-(trifluoromethyl)-, methyl ester; 2-Cyano-3-(trifluoromethyl)benzoic acid methyl ester; Methyl α-cyano-3-(trifluoromethyl)benzoate; Methyl 2-cyano-3-trifluoromethylbenzoate
EINECS	Contact for details

Quality Control

Our Methyl 2-Cyano-3-(Trifluoromethyl)Benzoate is manufactured under strict quality management systems. Each 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 quality attributes. Our commitment to cGMP principles and compliance with REACH regulations ensures a reliable supply for global research and production needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). The compound may be moisture-sensitive; keep the container tightly sealed under an inert atmosphere if specified. Keep away from strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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