Description

[1,1'-Biphenyl]-4-Acetonitrile, 3',5'-Bis(trifluoromethyl)- is a high-value, multi-functional biphenyl derivative featuring a strategically positioned acetonitrile group and electron-withdrawing trifluoromethyl substituents. This compound serves as a critical advanced pharmaceutical intermediate (API) and a versatile building block for the synthesis of complex organic molecules. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors to create novel compounds with enhanced properties.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, inflammation, and oncology.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, where the trifluoromethyl groups can improve metabolic stability and bioavailability.
• Ligand & Catalyst Development: Serves as a precursor for creating specialized ligands used in asymmetric catalysis and transition metal complexes.
• Material Science Research: Employed in the development of organic electronic materials, such as OLED (Organic Light-Emitting Diode) emitters and charge-transport materials, due to its rigid biphenyl core and fluorinated groups.
• Fluorinated Compound Library: An essential reagent for medicinal chemistry teams building diverse compound libraries to explore structure-activity relationships (SAR).
• Cross-Coupling Reactions: Acts as a substrate in Suzuki, Heck, and other palladium-catalyzed cross-coupling reactions to construct more complex biaryl systems.

Basic Information

Product Name	[1,1'-Biphenyl]-4-Acetonitrile, 3',5'-Bis(trifluoromethyl)-
CAS No.	442514-48-9
Molecular Formula	C₁₆H₉F₆N
Molecular Weight	329.25 g/mol
Synonyms	3',5'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4-acetonitrile; 4'-(Cyanomethyl)-3',5'-bis(trifluoromethyl)biphenyl; 2-[4'-(3,5-Bis(trifluoromethyl)phenyl)phenyl]acetonitrile; (4'-(3,5-Bis(trifluoromethyl)phenyl)-[1,1'-biphenyl]-4-yl)acetonitrile; Biphenyl-4-acetonitrile, 3',5'-bis(trifluoromethyl)-; 442514-48-9
EINECS	Contact for details

Quality Control

Our [1,1'-Biphenyl]-4-Acetonitrile, 3',5'-Bis(trifluoromethyl)- is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity suitable for research and scale-up. Each lot is accompanied by a comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles, verified by HPLC, GC, NMR, and mass spectrometry. We adhere to cGMP principles where applicable to support our clients' regulatory requirements.

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). This product is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to prevent degradation. 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
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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