Description

3-Methoxycarbonyl-4-Fluorophenylisothiocyanate is a versatile and high-purity chemical intermediate characterized by its reactive isothiocyanate and fluorinated aromatic structure. This compound is critical for the synthesis of advanced heterocyclic compounds and functional materials, offering precise reactivity for demanding chemical transformations. It is primarily utilized by research institutions and industrial manufacturers in the pharmaceutical, agrochemical, and specialty chemical sectors for developing novel active ingredients and sophisticated molecular architectures.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in the development of kinase inhibitors and other targeted therapies.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and pesticides with enhanced efficacy.
• Heterocyclic Chemistry: Essential reagent for constructing complex heterocyclic scaffolds, such as benzothiazoles and quinazolines, via cyclization reactions.
• Material Science Research: Serves as a precursor for functionalized polymers and advanced organic materials with specific electronic or optical properties.
• Chemical Biology Probes: Utilized in the development of activity-based probes and labeling reagents for studying enzyme function and protein interactions.
• Custom Synthesis & Contract Manufacturing: A critical starting material for custom synthesis projects and scale-up processes in fine chemical production.

Basic Information

Product Name	3-Methoxycarbonyl-4-Fluorophenylisothiocyanate
CAS No.	1027513-51-4
Molecular Formula	C9H6FNO2S
Molecular Weight	211.21 g/mol
Synonyms	Methyl 4-Fluoro-3-isothiocyanatobenzoate; 4-Fluoro-3-isothiocyanatobenzoic Acid Methyl Ester; Methyl 3-Isothiocyanato-4-fluorobenzoate; 3-(Isothiocyanato)-4-fluorobenzoic Acid Methyl Ester; Benzoic acid, 4-fluoro-3-isothiocyanato-, methyl ester; 1027513-51-4
EINECS	Contact for details

Quality Control

Every batch of 3-Methoxycarbonyl-4-Fluorophenylisothiocyanate is manufactured under strict quality management systems and undergoes comprehensive analytical testing. We ensure compliance with stringent internal specifications suitable for research and industrial synthesis. A Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment to guarantee traceability and batch-to-batch consistency.

Storage

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

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Related Substances (HPLC)	Total impurities ≤ 2.0%
Water Content (KF)	≤ 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.