Description

Methyl 4-(Isothiocyanatomethyl)Benzoate is a versatile organic building block featuring both an isothiocyanate and an ester functional group. This bifunctional nature makes it a critical intermediate for synthesizing more complex molecules in pharmaceutical and agrochemical research. It is primarily sought after by R&D chemists and process development scientists working in medicinal chemistry and crop protection. The compound's reactivity allows for the efficient introduction of thiourea and related moieties into target structures.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of potential drug candidates, particularly those targeting enzyme inhibition or requiring specific bioisosteric replacements.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, leveraging the isothiocyanate group's reactivity.
• Chemical Biology Probe Development: Serves as a linker or reactive handle for creating activity-based probes to study protein function and interactions.
• Material Science Research: Intermediate for synthesizing specialty polymers or functionalized surfaces with tailored chemical properties.
• Academic & Industrial R&D: A valuable reagent for methodological development and exploring new synthetic pathways in organic chemistry.

Basic Information

Product Name	Methyl 4-(Isothiocyanatomethyl)Benzoate
CAS No.	35009-16-6
Molecular Formula	C10H9NO2S
Molecular Weight	207.25 g/mol
Synonyms	Methyl p-(isothiocyanatomethyl)benzoate; Benzoic acid, 4-(isothiocyanatomethyl)-, methyl ester; 4-(Isothiocyanatomethyl)benzoic acid methyl ester; Methyl 4-(isothiocyanatomethyl)benzenecarboxylate; p-(Isothiocyanatomethyl)methyl benzoate
EINECS	Contact for details

Quality Control

Our Methyl 4-(Isothiocyanatomethyl)Benzoate is produced and handled under a strict quality management system. Each batch undergoes comprehensive analytical testing, including chromatographic purity assessment and structural confirmation, to ensure it meets the high standards required for research and development applications. A detailed Certificate of Analysis (COA) is provided with every shipment, guaranteeing traceability and consistent quality.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic nature, the container should be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent moisture absorption and degradation. Recommended storage temperature is 2-8°C for optimal stability.

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	≤ 1.0%

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