Description

2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile is a high-purity, specialized organic compound with the CAS number 175204-05-4. This chemical is valued for its unique molecular structure, which incorporates both isopropoxy and trifluoroethoxy functional groups attached to a benzonitrile core, making it a versatile intermediate for advanced synthesis. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries for the creation of novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders or possessing fluorinated motifs for enhanced metabolic stability and bioavailability.
• Agrochemical Research: Serves as a critical precursor in the development of new-generation herbicides, fungicides, and insecticides, where the trifluoroethoxy group can impart unique biological activity and environmental persistence profiles.
• Liquid Crystal & OLED Materials: Used in the research and production of specialty electronic chemicals, including liquid crystal displays (LCDs) and organic light-emitting diodes (OLEDs), due to its aromatic and ether-based structure.
• Organic Synthesis & Catalysis: Acts as a sophisticated reagent or ligand in cross-coupling reactions and other catalytic processes in academic and industrial organic chemistry laboratories.
• Fluorinated Compound Library: An essential component for constructing libraries of fluorinated compounds in medicinal and materials chemistry research, aiding in structure-activity relationship (SAR) studies.

Basic Information

Product Name	2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile
CAS No.	175204-05-4
Molecular Formula	C12H12F3NO2
Molecular Weight	259.23 g/mol
Synonyms	6-(2,2,2-Trifluoroethoxy)-2-isopropoxybenzonitrile; 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile; Benzonitrile, 2-isopropoxy-6-(2,2,2-trifluoroethoxy)-; 2-(Isopropoxy)-6-(2,2,2-trifluoroethoxy)benzonitrile; 175204-05-4; 2-Isopropoxy-6-(trifluoroethoxy)benzonitrile
EINECS	Contact for details

Quality Control

Every batch of 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile is manufactured under strict quality management systems. Our products undergo rigorous quality testing, including HPLC, GC, NMR, and Karl Fischer titration, to ensure compliance with exacting customer specifications and industry standards. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are available upon request to support your regulatory and R&D documentation needs.

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 (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation from atmospheric moisture. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Individual impurity ≤ 0.5%; Total impurities ≤ 1.5%
Residual Solvents (GC)	Meets ICH Q3C guidelines

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