Description

3-Methylbenzyl Isothiocyanate is a specialized organic compound belonging to the isothiocyanate class, known for its reactive -N=C=S functional group. This compound serves as a crucial building block and intermediate in advanced organic synthesis, particularly for the development of pharmaceuticals and agrochemicals. It is primarily utilized by research institutions, pharmaceutical R&D labs, and fine chemical manufacturers seeking high-purity intermediates for complex molecular construction.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, particularly those targeting specific enzyme pathways.
• Agrochemical Synthesis: Used in the development of new pesticides, herbicides, and fungicides due to its bioactive potential.
• Chemical Research: Serves as a versatile reagent in organic chemistry for the introduction of the isothiocyanate moiety into target molecules.
• Flavor & Fragrance Industry: Potential intermediate for synthesizing specific sulfur-containing aroma compounds, subject to purity and regulatory approval.
• Material Science: Investigated as a monomer or cross-linking agent in the development of specialized polymers and resins.
• Bioconjugation: Utilized in biochemical research for labeling proteins or other biomolecules via reaction with amine groups.

Basic Information

Product Name	3-Methylbenzyl Isothiocyanate
CAS No.	28115-86-8
Molecular Formula	C9H9NS
Molecular Weight	163.24 g/mol
Synonyms	m-Tolylmethyl Isothiocyanate; (3-Methylphenyl)methyl Isothiocyanate; 3-Methylbenzyl Mustard Oil; 1-(Isothiocyanatomethyl)-3-methylbenzene; α-Isothiocyanato-m-xylene; m-Methylbenzyl Isothiocyanate; 3-Methylbenzylthiocarbonylimide; m-Tolylmethyl Thiocyanate Isomer
EINECS	Contact for details

Quality Control

Our 3-Methylbenzyl Isothiocyanate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation via IR and NMR spectroscopy, to ensure it meets exacting standards for research and industrial use. A Certificate of Analysis (COA) detailing all test results is provided with every shipment to guarantee traceability and consistency.

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 hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation. Keep away from strong acids and incompatible organic solvents.

Specification

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

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