Description

Benzene, 1-Isocyano-2-(Trifluoromethyl)- (9Ci) is a specialized aromatic isocyanide building block distinguished by the presence of a reactive isocyano group and a trifluoromethyl substituent. This compound is valued for its unique reactivity profile, enabling its use as a versatile synthon in advanced organic synthesis and materials science. It is primarily sought by research and development chemists in the pharmaceutical, agrochemical, and specialty chemical industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for introducing the trifluoromethyl group, which can enhance metabolic stability and bioavailability.
• Agrochemical Synthesis: Used in the research and development of advanced herbicides, fungicides, and insecticides, where the isocyano group facilitates the creation of heterocyclic scaffolds.
• Ligand and Catalyst Development: Employed in organometallic chemistry for the preparation of specialized isocyanide ligands used in catalysis and material synthesis.
• Polymer and Material Science: Acts as a monomer or functionalization agent in the development of specialty polymers, coatings, and advanced materials with tailored properties.
• Chemical Biology Probe Synthesis: Utilized for labeling and modifying biomolecules in research applications due to the bio-orthogonal reactivity of the isocyano group.

Basic Information

Product Name	Benzene, 1-Isocyano-2-(Trifluoromethyl)- (9Ci)
CAS No.	105359-81-7
Molecular Formula	C8H4F3N
Molecular Weight	171.12 g/mol
Synonyms	2-(Trifluoromethyl)phenyl isocyanide; 1-Isocyano-2-(trifluoromethyl)benzene; α,α,α-Trifluoro-o-tolyl isocyanide; o-(Trifluoromethyl)phenyl isocyanide; 2-Trifluoromethylphenyl isocyanide; (2-Trifluoromethylphenyl)isocyanide; Isocyanobenzene, 2-(trifluoromethyl)-
EINECS	Contact for details

Quality Control

Our Benzene, 1-Isocyano-2-(Trifluoromethyl)- (9Ci) is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including NMR, HPLC, and GC analysis, to ensure identity, purity, and consistency. A Certificate of Analysis (COA) detailing all specifications is provided with every shipment to support your quality assurance and regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, containers should be kept in amber glass or opaque packaging.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 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.