Description

4-(Isocyanatomethyl)Benzonitrile is a versatile aromatic isocyanate derivative, serving as a critical building block for advanced organic synthesis. Its value lies in the dual functionality of the reactive isocyanate group and the electron-withdrawing nitrile moiety, enabling the creation of specialized polymers and fine chemicals. This compound is essential for R&D chemists and manufacturers in the pharmaceutical, agrochemical, and high-performance materials sectors seeking to develop novel compounds with tailored properties.

Application

• Pharmaceutical Intermediates: Key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those requiring benzonitrile or urea/urethane linkages.
• Agrochemical Synthesis: Used to construct novel herbicides, fungicides, and insecticides by incorporating its aromatic core into active molecules.
• Polymer & Resin Modification: Acts as a cross-linking agent or chain extender in polyurethane, polyurea, and other specialty polymer systems to enhance mechanical and chemical resistance.
• Ligand & Catalyst Development: Serves as a starting material for creating sophisticated chelating ligands and organocatalysts used in asymmetric synthesis.
• Material Science Research: Employed in developing advanced organic frameworks, coatings, and adhesives with specific performance characteristics.
• Chemical Biology Probes: Useful for synthesizing labeled compounds or probes for studying biological processes due to its reactive handle.

Basic Information

Product Name	4-(Isocyanatomethyl)Benzonitrile
CAS No.	1205556-81-5
Molecular Formula	C9H6N2O
Molecular Weight	158.16 g/mol
Synonyms	4-(Isocyanatomethyl)benzonitrile; p-Cyanobenzyl isocyanate; 4-Cyanobenzyl isocyanate; (4-Cyanophenyl)methyl isocyanate; Benzonitrile, 4-(isocyanatomethyl)-; 1-Isocyanato-4-(cyanomethyl)benzene; α-Isocyanato-p-tolunitrile
EINECS	Contact for details

Quality Control

Our 4-(Isocyanatomethyl)Benzonitrile is produced under stringent quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistency. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with every shipment to support your quality assurance and regulatory compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to its hygroscopic and moisture-sensitive nature, the container must be kept sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation from atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Total impurities ≤ 2.0%

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