Description

3-Cyano-5-Nitrobenzotrifluoride is a versatile and high-value aromatic trifluoromethyl derivative, serving as a critical building block in advanced organic synthesis. Its unique molecular structure, featuring both electron-withdrawing cyano and nitro groups adjacent to the trifluoromethyl moiety, makes it an indispensable intermediate for creating complex, functionalized molecules. This compound is primarily sought after by research institutions and manufacturers in the pharmaceutical and agrochemical sectors for the development of novel active ingredients, including potential herbicides, fungicides, and pharmaceutical candidates.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of complex drug molecules, particularly those requiring a trifluoromethylated aromatic core for enhanced metabolic stability and bioavailability.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the trifluoromethyl group often contributes to improved efficacy and environmental profile.
• Material Science Research: Serves as a precursor for the development of specialty polymers, liquid crystals, and organic electronic materials due to its electron-deficient aromatic system.
• Dye and Pigment Intermediate: Employed in the synthesis of specialized dyes and pigments where the nitro and cyano groups influence color properties and lightfastness.
• Cross-Coupling Reactions: An excellent substrate for palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Sonogashira) to construct more complex biaryl systems for various applications.

Basic Information

Product Name	3-Cyano-5-Nitrobenzotrifluoride
CAS No.	20566-80-7
Molecular Formula	C8H3F3N2O2
Molecular Weight	216.12 g/mol
Synonyms	5-Nitro-3-(trifluoromethyl)benzonitrile; 3-(Trifluoromethyl)-5-nitrobenzonitrile; 2-Nitro-5-cyanobenzotrifluoride; α,α,α-Trifluoro-5-nitro-m-toluonitrile; 1-Cyano-3-nitro-5-(trifluoromethyl)benzene; Benzene, 1-cyano-3-nitro-5-(trifluoromethyl)-; m-Cyano-m'-nitrobenzotrifluoride
EINECS	Contact for details

Quality Control

Our 3-Cyano-5-Nitrobenzotrifluoride is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC for purity assessment, NMR and IR for structural confirmation, and GC for residual solvent analysis, to ensure it meets the stringent requirements of our clients in research and scale-up. A detailed Certificate of Analysis (COA) is provided with each shipment, guaranteeing traceability and consistent high purity.

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 heat, sparks, and open flame. The compound should be stored separately from strong bases, reducing agents, and strong oxidizing agents.

Specification

Item	Specification
Appearance	Yellow to light brown crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 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.