Description

5-Bromo-3-(trifluoromethyl)-o-anisonitrile, also known as 5-Bromo-3-cyano-2-methoxybenzotrifluoride, is a high-value, multi-functional aromatic building block featuring bromo, cyano, and trifluoromethyl substituents. This compound is engineered to provide synthetic chemists with a versatile and reactive scaffold for constructing complex molecules, particularly in advanced pharmaceutical and agrochemical research. Its unique structure makes it an essential intermediate for medicinal chemistry, enabling the development of novel active ingredients through cross-coupling and functional group transformation reactions.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), especially for candidates targeting central nervous system (CNS) disorders, oncology, and inflammatory diseases.
• Agrochemical Synthesis: Used in the research and development of advanced herbicides, fungicides, and insecticides, where the trifluoromethyl group enhances biological activity and metabolic stability.
• Material Science Research: Serves as a monomer or building block for developing specialty polymers, liquid crystals, and organic electronic materials.
• Cross-Coupling Reactions: The bromine atom is an excellent handle for palladium-catalyzed reactions like Suzuki, Sonogashira, and Buchwald-Hartwig couplings to create complex biaryl and other structures.
• Fluorine Chemistry: The stable trifluoromethyl group introduces desirable properties like increased lipophilicity and metabolic resistance into target molecules.
• Chemical Biology & Proteomics: Can be utilized as a scaffold for designing molecular probes and enzyme inhibitors due to its distinct substitution pattern.

Basic Information

Product Name	5-Bromo-3-(trifluoromethyl)-o-anisonitrile / 5-Bromo-3-cyano-2-methoxybenzotrifluoride
CAS No.	1445995-71-0
Molecular Formula	C9H5BrF3NO
Molecular Weight	280.04 g/mol
Synonyms	5-Bromo-3-(trifluoromethyl)-2-methoxybenzonitrile; 2-Bromo-6-cyano-3-(trifluoromethyl)anisole; 5-Bromo-3-cyano-2-methoxybenzotrifluoride; 5-Bromo-2-methoxy-3-(trifluoromethyl)benzonitrile; 2-Methoxy-5-bromo-3-(trifluoromethyl)benzonitrile; Benzene, 2-bromo-1-cyano-6-methoxy-3-(trifluoromethyl)-; 1445995-71-0
EINECS	Contact for details

Quality Control

Our 5-Bromo-3-(trifluoromethyl)-o-anisonitrile is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity for research and development applications. Each lot undergoes comprehensive analytical characterization, including HPLC, GC, NMR, and mass spectrometry. A detailed Certificate of Analysis (COA) is provided with every shipment, confirming identity, purity, and impurity profiles. We support cGMP-compliant production for advanced pharmaceutical applications upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from incompatible materials such as strong bases and fluorides. The container should be kept tightly sealed in a dry environment to prevent moisture absorption.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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