Description

3-Methylbenzyl Isothiocyanate is a versatile organic building block and bioactive compound of significant interest in fine chemical synthesis and life science research. Its value lies in the reactive isothiocyanate functional group, which readily undergoes addition reactions with nucleophiles, making it a key intermediate for creating novel heterocycles, agrochemicals, and pharmaceutical candidates. This compound is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries seeking to develop new active ingredients or advanced materials.

Application

• Pharmaceutical Intermediate: Serves as a crucial precursor in the synthesis of novel drug candidates, particularly those targeting anti-inflammatory or anticancer pathways.
• Agrochemical Synthesis: Used in the research and development of new pesticides and herbicides, leveraging its bioactive scaffold.
• Chemical Biology & Proteomics: Acts as a reactive probe for labeling and studying biological targets due to its affinity for thiol and amine groups.
• Flavor & Fragrance Industry: Employed as an intermediate in the synthesis of complex aroma chemicals, contributing to unique sensory profiles.
• Material Science: Utilized in the creation of specialty polymers and coatings where the benzyl isothiocyanate moiety imparts specific chemical resistance or adhesion properties.
• Academic & Industrial Research: A valuable reagent for methodological development in organic synthesis and for exploring new reaction pathways.

Basic Information

Product Name	3-Methylbenzyl Isothiocyanate
CAS No.	3696-66-0
Molecular Formula	C9H9NS
Molecular Weight	163.24 g/mol
Synonyms	m-Tolylmethyl isothiocyanate; 3-Methylbenzyl mustard oil; (3-Methylphenyl)methyl isothiocyanate; Isothiocyanic acid 3-methylbenzyl ester; 1-Isothiocyanatomethyl-3-methylbenzene; NSC 401119; m-Tolylmethyl isothiocyanate; m-Methylbenzyl isothiocyanate
EINECS	223-025-7

Quality Control

Our 3-Methylbenzyl Isothiocyanate is produced under strict quality management systems. Every batch undergoes rigorous analytical testing to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing key parameters such as assay, impurity profile, and physical characteristics. Our quality commitment ensures the material meets the stringent requirements for research and development applications.

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). Due to its highly volatile nature, ensure containers are securely sealed when not in use and stored away from heat sources and open flames.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Purity (GC)	≥ 98.0%
Water Content (KF)	≤ 0.5%

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