Description

Benzoic Acid, 4-Isocyano-, Methyl Ester (9Ci) is a specialized organic building block characterized by the presence of both an isocyano and an ester functional group on a benzoic acid core. This unique bifunctional structure makes it a valuable intermediate for synthesizing heterocyclic compounds and complex molecular architectures in advanced research and development. It is primarily utilized by pharmaceutical, agrochemical, and material science R&D teams for applications such as ligand synthesis, catalyst development, and the creation of novel active ingredients.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, particularly those targeting specific enzyme pathways.
• Agrochemical Research: Used in the development of new pesticides and herbicides, leveraging its reactive functional groups for structural diversification.
• Coordination Chemistry & Catalyst Design: Acts as a versatile ligand or precursor for ligands in transition metal catalysis due to the isocyano group's strong metal-binding affinity.
• Material Science: Employed in the research of advanced polymers and functional materials where its aromatic and reactive groups can be incorporated into polymer backbones.
• Chemical Biology Probes: Utilized in the creation of molecular probes for studying biological processes, where the isocyano group can be used for bioorthogonal labeling.
• Academic & Industrial R&D: A fundamental reagent for methodological development and exploratory synthesis in organic chemistry laboratories worldwide.

Basic Information

Product Name	Benzoic Acid, 4-Isocyano-, Methyl Ester (9Ci)
CAS No.	198476-21-0
Molecular Formula	C9H7NO2
Molecular Weight	161.16 g/mol
Synonyms	4-Isocyanobenzoic Acid Methyl Ester; Methyl 4-Isocyanobenzoate; p-Isocyanobenzoic Acid Methyl Ester; Benzoic acid, 4-isocyano-, methyl ester; Methyl p-isocyanobenzoate; 4-Cyanoformimidoylbenzoic acid methyl ester
EINECS	Contact for details

Quality Control

Our Benzoic Acid, 4-Isocyano-, Methyl Ester (9Ci) is produced and handled under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation via spectroscopic methods (IR, NMR). A detailed Certificate of Analysis (COA) is provided with every shipment, ensuring traceability and compliance with your research 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). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, containers should be kept in amber glass or opaque packaging during storage.

Specification

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