Description

3-[4-(Trifluoromethyl)Phenyl]Benzonitrile is a high-value, functionalized aromatic nitrile building block characterized by its trifluoromethylphenyl substituent. This compound is essential for introducing both lipophilicity and metabolic stability into target molecules, a critical requirement in modern synthetic chemistry. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries for use in medicinal chemistry, lead optimization, and the synthesis of advanced intermediates.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly in the development of kinase inhibitors and other small-molecule therapeutics.
• Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and insecticides, where the trifluoromethyl group enhances biological activity.
• Material Science Research: Serves as a precursor for advanced organic materials, including liquid crystals and polymers with specific electronic properties.
• Chemical Biology Probes: Employed in the design and synthesis of molecular probes and tags for studying biological systems and mechanisms.
• Cross-Coupling Reactions: An effective substrate in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Sonogashira) to create complex biaryl structures.
• Functional Group Transformation: The nitrile moiety can be readily converted into other functional groups such as carboxylic acids, amides, or tetrazoles, expanding its utility in library synthesis.

Basic Information

Product Name	3-[4-(Trifluoromethyl)Phenyl]Benzonitrile
CAS No.	893734-90-2
Molecular Formula	C14H8F3N
Molecular Weight	247.22 g/mol
Synonyms	3-[4-(Trifluoromethyl)phenyl]benzonitrile; [1,1'-Biphenyl]-3-carbonitrile, 4'-(trifluoromethyl)-; 4'-(Trifluoromethyl)[1,1'-biphenyl]-3-carbonitrile; 3-(4-Trifluoromethylphenyl)benzonitrile; 3-(4-(Trifluoromethyl)phenyl)benzonitrile; 3-(p-Trifluoromethylphenyl)benzonitrile
EINECS	Contact for details

Quality Control

Our 3-[4-(Trifluoromethyl)Phenyl]Benzonitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high purity and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all relevant specifications. Our quality commitment supports compliance with cGMP and ICH guidelines for advanced intermediates.

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). Due to its hygroscopic nature, the container must be kept tightly sealed to prevent moisture absorption, which can affect product stability and performance. Keep away from incompatible materials such as strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
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.