Description

4-(tert-Butyl)-Alpha,Alpha,α-Trifluorotoluene, also known as 1-(tert-Butyl)-4-(trifluoromethyl)benzene, is a high-value fluorinated aromatic building block prized for its unique combination of steric bulk and electron-withdrawing properties. This compound is essential for modifying the lipophilicity, metabolic stability, and binding affinity of target molecules in advanced chemical synthesis. It is primarily sought after by research and development teams in the pharmaceutical, agrochemical, and advanced materials sectors for creating novel active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: A key synthon in the development of active pharmaceutical ingredients (APIs), particularly for introducing the tert-butyl and trifluoromethyl groups to enhance drug-like properties.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and pesticides where the trifluoromethyl group improves biological activity and environmental persistence.
• Liquid Crystal & OLED Materials: Serves as a precursor or dopant in the synthesis of fluorinated compounds for electronic display technologies and organic light-emitting diodes.
• Polymer & Resin Modifier: Incorporated into specialty polymers to alter thermal stability, chemical resistance, and surface properties.
• Catalyst Ligand Precursor: Utilized in organometallic chemistry to create sophisticated ligands for asymmetric catalysis and cross-coupling reactions.
• Organic Synthesis Building Block: A versatile reagent for Friedel-Crafts alkylations, Suzuki couplings, and other reactions to construct complex aromatic systems in medicinal and materials chemistry.

Basic Information

Item	Details
Product Name	4-(tert-Butyl)-Alpha,Alpha,α-Trifluorotoluene
CAS No.	160001-85-4
Molecular Formula	C11H13F3
Molecular Weight	202.22 g/mol
Synonyms	1-(tert-Butyl)-4-(trifluoromethyl)benzene; p-(tert-Butyl)benzotrifluoride; 4-tert-Butylbenzotrifluoride; 4-tert-Butyl-α,α,α-trifluorotoluene; 1-tert-Butyl-4-trifluoromethylbenzene; 4-(1,1-Dimethylethyl)benzotrifluoride; p-tert-Butyl-α,α,α-trifluorotoluene
EINECS	Contact for details

Quality Control

Our production of 4-(tert-Butyl)-Alpha,Alpha,α-Trifluorotoluene adheres to stringent quality management protocols. Every batch undergoes comprehensive analytical testing, including GC, HPLC, and NMR, to ensure high purity and consistency. We provide detailed Certificates of Analysis (COA) with each shipment, confirming compliance with agreed specifications. Our quality system is designed to meet the rigorous demands of cGMP and ISO standards for traceability and reliability.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area away from incompatible materials such as strong acids and oxidizing agents. Due to its highly volatile nature, ensure containers are kept tightly sealed when not in use. Recommended storage temperature is between 15°C and 25°C.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 98.0%
Water Content (KF)	≤ 0.1%
Related Substances (GC)	≤ 1.0% total
Density (at 20°C)	1.10 - 1.15 g/mL
Refractive Index (n20D)	1.450 - 1.460

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