Description

Benzene, 1-Isocyano-4-(Trifluoromethoxy)- (9Ci) CAS NO 463946-40-9 is a specialized aromatic isocyanide derivative, distinguished by the presence of a trifluoromethoxy substituent. This compound is a high-value chemical building block prized for its unique reactivity profile, enabling the synthesis of complex heterocyclic and functionalized molecular architectures. It is primarily utilized by pharmaceutical R&D and advanced material science laboratories for developing novel active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting CNS and anti-inflammatory applications.
• Agrochemical Research: Used to construct complex heterocyclic scaffolds for next-generation herbicides and fungicides.
• Ligand Synthesis in Catalysis: Serves as a versatile building block for creating specialized isocyanide-based ligands used in transition metal catalysis.
• Material Science: Employed in the development of advanced polymers and functional organic materials with tailored electronic or surface properties.
• Chemical Biology Probes: Utilized in the design and synthesis of activity-based probes for studying enzyme function and protein interactions.

Basic Information

Item	Details
Product Name	Benzene, 1-Isocyano-4-(Trifluoromethoxy)- (9Ci)
CAS No.	463946-40-9
Molecular Formula	C8H4F3NO
Molecular Weight	187.12 g/mol
Synonyms	1-Isocyano-4-(trifluoromethoxy)benzene; 4-(Trifluoromethoxy)phenyl isocyanide; p-(Trifluoromethoxy)phenyl isocyanide; 1-Isocyanato-4-(trifluoromethoxy)benzene (common misnomer); 4-Trifluoromethoxyphenyl isocyanide; Isocyanobenzene, 4-(trifluoromethoxy)-; (4-Trifluoromethoxyphenyl)isocyanide
EINECS	Contact for details

Quality Control

Our production of Benzene, 1-Isocyano-4-(Trifluoromethoxy)- (9Ci) adheres to stringent internal quality protocols to ensure batch-to-batch consistency and high purity. Each lot is characterized by modern analytical techniques including NMR, HPLC, and GC-MS. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory documentation.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at a controlled room temperature (15-25°C) in a cool, dry, and well-ventilated area. Due to its sensitivity to light and oxidation, prolonged exposure to air or light should be avoided. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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