Description

Benzonitrile, 3-Isocyano- (9Ci) CAS NO 216063-63-7 is a specialized aromatic isocyanide derivative, serving as a versatile and high-value synthetic building block in advanced organic chemistry. Its core value lies in its dual functional groups, enabling its use as a key ligand in catalysis and a reactive precursor for constructing complex heterocyclic and pharmaceutical scaffolds. This compound is essential for researchers and process chemists in pharmaceutical R&D, agrochemical synthesis, and materials science who require precise, high-purity intermediates for innovative molecule development.

Application

• Pharmaceutical Intermediate: A critical precursor in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for constructing nitrogen-containing heterocycles like imidazoles and triazoles.
• Catalysis & Ligand Synthesis: Used as a versatile ligand or precursor for palladium and other transition metal catalysts, facilitating cross-coupling and other key organic transformations.
• Agrochemical Research: Employed in the development of new herbicides, fungicides, and insecticides, where its isocyano group introduces specific bioactivity.
• Material Science: Acts as a monomer or functionalizing agent in the creation of specialty polymers, coordination polymers, and metal-organic frameworks (MOFs).
• Chemical Biology & Probe Development: Utilized in click chemistry and bioconjugation strategies to create molecular probes for studying biological systems.
• Academic & Industrial R&D: Serves as a fundamental reagent for methodological development in synthetic organic chemistry laboratories worldwide.

Basic Information

Product Name	Benzonitrile, 3-Isocyano- (9Ci)
CAS No.	216063-63-7
Molecular Formula	C8H4N2
Molecular Weight	128.13 g/mol
Synonyms	3-Isocyanobenzonitrile; m-Isocyanobenzonitrile; 3-Cyano phenyl isocyanide; 1-Cyano-3-isocyanobenzene; Benzonitrile, m-isocyano-; 3-Isocyano-benzonitrile; Isocyanobenzene-3-carbonitrile
EINECS	Contact for details

Quality Control

Our Benzonitrile, 3-Isocyano- (9Ci) is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity for research and scale-up applications. Each lot undergoes comprehensive analytical testing, including HPLC for purity and NMR for structural confirmation. A detailed Certificate of Analysis (COA) documenting identity, purity, and impurity profiles is provided with every shipment to support your quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and 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, the container should be amber glass or otherwise opaque.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details

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