Description

Benzene, 1-Isocyano-4-(1-Methylethyl)- (9Ci) CAS NO 463302-31-0 is a specialized aromatic isocyanate derivative, serving as a versatile and high-value building block in advanced organic synthesis. Its core value lies in its reactive isocyano group, which enables the efficient construction of complex heterocyclic and functionalized molecular architectures. This compound is essential for R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty materials industries seeking to develop novel active ingredients and performance chemicals.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, particularly for constructing nitrogen-containing heterocycles like imidazoles, oxazoles, and triazoles.
• Agrochemical Synthesis: Used in the development of advanced pesticides, herbicides, and fungicides where its structural motif contributes to biological activity.
• Ligand and Catalyst Development: Serves as a starting material for creating specialized isocyanide-based ligands for transition metal catalysis and organocatalysis.
• Polymer & Material Science: Employed in the research and production of specialty polymers, coatings, and adhesives requiring specific functional groups for cross-linking or property modification.
• Chemical Biology & Proteomics: Utilized in click chemistry and bioorthogonal labeling strategies for studying biological processes and protein interactions.
• Organic Synthesis Research: A critical reagent for multi-component reactions (MCRs) such as the Ugi and Passerini reactions, enabling rapid generation of chemical diversity libraries.

Basic Information

Product Name	Benzene, 1-Isocyano-4-(1-Methylethyl)- (9Ci)
CAS No.	463302-31-0
Molecular Formula	C10H11N
Molecular Weight	145.20 g/mol
Synonyms	4-Isopropylphenyl isocyanide; 1-Isocyano-4-isopropylbenzene; p-Isopropylphenyl isocyanide; 4-(1-Methylethyl)benzenisocyanide; 4-Isopropylbenzenisocyanide; Isocyanobenzene, 4-isopropyl-; (4-Isopropylphenyl)isocyanide
EINECS	Contact for details

Quality Control

Our Benzene, 1-Isocyano-4-(1-Methylethyl)- (9Ci) is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing to ensure high purity and consistency, meeting the exacting standards required for research and process chemistry. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are available upon request.

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). Due to its highly volatile and light-sensitive nature, containers should be kept sealed and handled under an inert atmosphere (e.g., nitrogen) when possible to prevent degradation and moisture ingress.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 95.0%
Purity (HPLC)	≥ 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.