Description

Benzonitrile, 4-Isocyano- (9Ci) is a specialized aromatic isocyanide derivative, a versatile building block in synthetic organic chemistry. Its core value lies in its dual functionality, featuring both a nitrile and a highly reactive isocyano group, enabling its use in multi-component reactions and as a ligand precursor. This compound is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and material science sectors, where it serves as a key intermediate for constructing complex heterocycles and functionalized molecules.

Application

• Pharmaceutical Intermediate: A crucial precursor in the synthesis of bioactive molecules, heterocyclic compounds, and potential drug candidates.
• Agrochemical Synthesis: Used in the development of novel pesticides, herbicides, and fungicides due to its reactive isocyano group.
• Coordination Chemistry & Catalysis: Acts as a versatile ligand for transition metals, forming complexes used in catalytic processes.
• Material Science Research: Employed in the creation of novel polymers, dyes, and functional organic materials.
• Multi-Component Reactions (MCRs): A valuable reactant in Passerini and Ugi-type reactions for the efficient generation of molecular diversity.
• Chemical Biology Probes: Utilized in the development of probes and tags for studying biological systems.

Basic Information

Product Name	Benzonitrile, 4-Isocyano- (9Ci)
CAS No.	2980-80-5
Molecular Formula	C8H4N2
Molecular Weight	128.13 g/mol
Synonyms	4-Isocyanobenzonitrile; p-Isocyanobenzonitrile; 1-Cyano-4-isocyanobenzene; 4-Cyanophenyl isocyanide; Benzonitrile, p-isocyano-; 4-Isocyano-benzonitrile; 2980-80-5 (CAS)
EINECS	221-048-9

Quality Control

Our Benzonitrile, 4-Isocyano- (9Ci) is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistency. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to guarantee compliance with your research and development specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). This compound is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere for long-term stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Water Content (KF)	≤ 0.5%

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