Description

3-Iodo-4-(Trifluoromethoxy)Benzonitrile is a high-purity, multi-functional aromatic building block designed for advanced chemical synthesis. This compound matters for its unique trifluoromethoxy and iodo substituents, which are critical for modulating the electronic properties, lipophilicity, and metabolic stability of target molecules. It is primarily needed by research and development chemists in the pharmaceutical and agrochemical industries for creating novel active ingredients, as well as by material scientists exploring advanced organic electronic materials.

Application

• Pharmaceutical Intermediate: A key synthon for the development of active pharmaceutical ingredients (APIs), particularly in medicinal chemistry programs targeting CNS disorders, oncology, and anti-inflammatory agents.
• Agrochemical Research: Used in the synthesis of novel herbicides, fungicides, and insecticides, where the trifluoromethoxy group enhances biological activity and environmental stability.
• Material Science Precursor: Serves as a building block for organic semiconductors, liquid crystals, and advanced polymers due to its electron-withdrawing character and potential for cross-coupling reactions.
• Cross-Coupling Reactions: The iodine atom makes it an excellent substrate for palladium-catalyzed reactions like Suzuki, Sonogashira, and Buchwald-Hartwig couplings to create complex biaryl and conjugated systems.
• Fluorine Chemistry: An important reagent for introducing the trifluoromethoxy (OCF3) group, a valuable motif in drug discovery for improving pharmacokinetic properties.
• Custom Synthesis & Contract Research: Supplied to CROs and CDMOs for client-specific projects requiring high-value, tailored chemical intermediates.

Basic Information

Product Name	3-Iodo-4-(Trifluoromethoxy)Benzonitrile
CAS No.	1365988-15-3
Molecular Formula	C8H3F3INO
Molecular Weight	313.02 g/mol
Synonyms	4-(Trifluoromethoxy)-3-iodobenzonitrile; 3-Iodo-4-trifluoromethoxybenzonitrile; 4-Cyano-2-iodophenyl trifluoromethyl ether; Benzonitrile, 3-iodo-4-(trifluoromethoxy)-; 1365988-15-3; 2-Iodo-4-cyanophenyl trifluoromethyl ether
EINECS	Contact for details

Quality Control

Our 3-Iodo-4-(Trifluoromethoxy)Benzonitrile is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure it meets the high standards required for research and scale-up applications. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to guarantee traceability and consistency.

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. This material is light-sensitive (store away from light).

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
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.