Description

Benzonitrile, 2-Isocyano- (9Ci) is a specialized aromatic isocyanide derivative, serving as a versatile and high-value building block in advanced organic synthesis. Its unique bifunctional structure, featuring both a nitrile and a highly reactive isocyano group, makes it indispensable for constructing complex heterocyclic frameworks and functional materials. This compound is primarily sought after by research chemists and process development scientists in the pharmaceutical, agrochemical, and materials science industries for applications in medicinal chemistry, ligand synthesis, and polymer research. CAS No. 90348-24-6.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of nitrogen-containing heterocycles, such as imidazoles and oxazoles, which are core structures in many active pharmaceutical ingredients (APIs).
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides, leveraging its reactivity to create complex bioactive molecules.
• Coordination Chemistry & Catalysis: Acts as a versatile ligand for transition metals, forming complexes used in homogeneous catalysis and materials science.
• Polymer & Material Science: Employed as a monomer or cross-linking agent in the production of specialty polymers, resins, and functional materials with tailored properties.
• Multicomponent Reaction (MCR) Chemistry: A valuable reactant in Passerini and Ugi-type multicomponent reactions for the efficient, one-pot generation of chemical libraries for drug discovery.
• Chemical Biology & Bioconjugation: Utilized in probe development and bioconjugation strategies due to the specific reactivity of the isocyano group under mild conditions.

Basic Information

Product Name	Benzonitrile, 2-Isocyano- (9Ci)
CAS No.	90348-24-6
Molecular Formula	C8H4N2
Molecular Weight	128.13 g/mol
Synonyms	2-Isocyanobenzonitrile; 2-Cyanophenyl isocyanide; o-Isocyanobenzonitrile; 1-Isocyano-2-cyanobenzene; Benzonitrile, o-isocyano-; 2-Isocyano-benzonitrile; (2-Cyanophenyl)isocyanide
EINECS	Contact for details

Quality Control

Our Benzonitrile, 2-Isocyano- (9Ci) is produced and handled under strict quality management protocols to ensure batch-to-batch consistency and high purity. Each lot is accompanied by a comprehensive Certificate of Analysis (COA) detailing key parameters such as identity, assay, and impurity profile. We support custom synthesis and purification to meet specific research or development grade requirements, including HPLC, NMR, and GC-MS analytical validation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). This compound is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent decomposition.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 95.0%
Purity (GC)	≥ 90.0%
Melting Point	Contact for details
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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