Description

3-Bromo-5-Cyanobenzotrifluoride is a high-value, multi-functional aromatic building block featuring bromine, cyano, and trifluoromethyl substituents. This unique combination of functional groups makes it an essential intermediate for constructing complex molecules in advanced research and development. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for applications in cross-coupling reactions, nucleophilic substitutions, and as a precursor for further functionalization.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of active pharmaceutical ingredients (APIs), particularly those requiring fluorinated aromatic systems for enhanced metabolic stability and bioavailability.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides where the trifluoromethyl and cyano groups contribute to biological activity and environmental persistence profiles.
• Material Science Precursor: Serves as a monomer or building block for advanced polymers, liquid crystals, and organic electronic materials due to its electron-withdrawing character and potential for further modification.
• Cross-Coupling Reactions: The bromine atom is an excellent handle for palladium-catalyzed reactions like Suzuki, Negishi, and Stille couplings to create biaryl structures.
• Ligand and Catalyst Development: Employed in the design of specialized ligands for catalysis, where the aromatic core can be functionalized to tune steric and electronic properties.

Basic Information

Product Name	3-Bromo-5-Cyanobenzotrifluoride
CAS No.	691877-03-9
Molecular Formula	C8H3BrF3N
Molecular Weight	250.02 g/mol
Synonyms	5-Bromo-3-(trifluoromethyl)benzonitrile; 3-Bromo-5-(trifluoromethyl)benzonitrile; 1-Bromo-3-cyano-5-(trifluoromethyl)benzene; 3-Bromo-α,α,α-trifluoro-m-toluonitrile; 3-Cyano-5-(trifluoromethyl)bromobenzene; m-Bromo-α,α,α-trifluorobenzonitrile (substituted); Benzene, 1-bromo-3-cyano-5-(trifluoromethyl)-
EINECS	Contact for details

Quality Control

Our 3-Bromo-5-Cyanobenzotrifluoride 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 parameters. Our quality commitment ensures the material meets the stringent requirements for research and scale-up applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (typically 15-25°C). Keep away from strong bases and reducing agents. 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
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
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.