Description

Ethyl-3-Isocyanobenzoate CAS NO 730971-36-5 is a versatile and high-purity chemical intermediate featuring a reactive isocyanate group. This compound is critical for the synthesis of more complex molecules, particularly in the development of active pharmaceutical ingredients (APIs) and advanced agrochemicals. It is primarily sought after by research institutions and industrial manufacturers in the pharmaceutical, agrochemical, and specialty chemical sectors for constructing ureas, carbamates, and other valuable heterocyclic frameworks.

Application

Ethyl-3-Isocyanobenzoate serves as a key building block in various synthetic pathways. Its primary applications include:

• Pharmaceutical Intermediate: Core reagent for synthesizing urea-based drug candidates, including kinase inhibitors and other targeted therapies.
• Agrochemical Synthesis: Used in the production of modern herbicides and fungicides that require specific carbamate or urea functionalities.
• Polymer Chemistry: Acts as a monomer or cross-linking agent in the development of specialized polyurethanes and coatings with tailored properties.
• Chemical Research & Development: Essential for medicinal chemistry and process chemistry for constructing molecular libraries and scaling up novel compounds.
• Dye and Pigment Manufacturing: Intermediate in the synthesis of complex organic colorants and functional dyes.

Basic Information

Product Name	Ethyl-3-Isocyanobenzoate
CAS No.	730971-36-5
Molecular Formula	C10H9NO3
Molecular Weight	191.18 g/mol
Synonyms	3-Isocyanatobenzoic Acid Ethyl Ester; Ethyl 3-Isocyanatobenzoate; Benzoic acid, 3-isocyanato-, ethyl ester; m-Isocyanatobenzoic Acid Ethyl Ester; Ethyl m-Isocyanatobenzoate; 730971-36-5; Ethyl 3-isocyanobenzoate
EINECS	Contact for details

Quality Control

Our Ethyl-3-Isocyanobenzoate is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistency. We provide a detailed Certificate of Analysis (COA) with each shipment, confirming identity, assay, and impurity profiles to meet your specific R&D or cGMP requirements.

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). This material is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to prevent decomposition. Keep away from heat, open flames, and sources of ignition.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Individual impurity ≤ 0.5%; Total impurities ≤ 2.0%

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