Description

1,3-Dichloro-2-isothiocyanato-4-methylbenzene is a high-purity, multi-functional organic intermediate featuring both isothiocyanate and chloro substituents on a methylbenzene core. This unique structure makes it a valuable building block for synthesizing complex molecules, particularly in advanced pharmaceutical and agrochemical research. It is primarily sought after by R&D chemists and process development scientists in the fine chemical and life sciences industries for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, particularly those targeting specific enzymes or receptors where the isothiocyanate group can act as a reactive handle.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, leveraging its reactive sites to create compounds with specific biological activity.
• Ligand and Chelator Development: Employed in organometallic chemistry and material science for constructing specialized ligands and chelating agents.
• Polymer Modification: Acts as a functional monomer or cross-linking agent to introduce specific chemical functionalities into polymer backbones, enhancing material properties.
• Chemical Biology Probes: Utilized in the creation of activity-based probes (ABPs) for studying enzyme function and protein profiling due to the electrophilic nature of the isothiocyanate group.
• Dye and Pigment Intermediate: Functions as a building block in the synthesis of specialized dyes and organic pigments, contributing to color and stability properties.

Basic Information

Item	Details
Product Name	1,3-Dichloro-2-isothiocyanato-4-methylbenzene
CAS No.	1036587-85-5
Molecular Formula	C8H5Cl2NS
Molecular Weight	218.10 g/mol
Synonyms	2,4-Dichloro-6-methylphenyl isothiocyanate; 2,4-Dichloro-α-tolyl isothiocyanate; 2-Isothiocyanato-1,3-dichloro-4-methylbenzene; 1,3-Dichloro-2-isothiocyanatotoluene; 2,4-Dichloro-6-methylbenzene isothiocyanate; 6-Methyl-2,4-dichlorophenyl isothiocyanate; (2,4-Dichloro-6-methylphenyl) isothiocyanate
EINECS	Contact for details

Quality Control

Our 1,3-Dichloro-2-isothiocyanato-4-methylbenzene is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with every shipment, confirming compliance with agreed specifications. Our quality commitment supports applications requiring high-purity intermediates for research and development.

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 to prevent degradation from atmospheric moisture. 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%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Related Substances (HPLC)	Total impurities ≤ 2.0%
Single Unknown Impurity	≤ 0.5%

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