Description

1-(2,6-Dichloro-Benzyl)-3-Isothiocyanato-1H-Pyrazole is a specialized heterocyclic organic compound featuring a pyrazole core functionalized with an isothiocyanate group and a dichlorobenzyl substituent. This molecular architecture makes it a valuable high-purity chemical intermediate for advanced synthesis in pharmaceutical and agrochemical research. It is primarily sought after by R&D chemists and process development scientists working on novel active ingredients. The compound's reactivity profile is key for constructing complex molecules targeting specific biological pathways.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting enzyme inhibition.
• Agrochemical Research: Used in the development of new pesticides and herbicides, where the isothiocyanate moiety can be leveraged for its bioactivity.
• Chemical Biology Probe: Acts as a reactive handle in activity-based protein profiling (ABPP) to study enzyme function and discover new therapeutic targets.
• Custom Synthesis & Contract Manufacturing: A critical starting material for fine chemical manufacturers producing bespoke compounds for client R&D projects.
• Material Science Research: Investigated as a monomer or cross-linking agent in the development of specialized polymers with unique properties.

Basic Information

Product Name	1-(2,6-Dichloro-Benzyl)-3-Isothiocyanato-1H-Pyrazole
CAS No.	1004193-34-3
Molecular Formula	C11H7Cl2N3S
Molecular Weight	284.16 g/mol
Synonyms	1-[(2,6-Dichlorophenyl)methyl]-1H-pyrazol-3-yl isothiocyanate; 3-Isothiocyanato-1-(2,6-dichlorobenzyl)-1H-pyrazole; 1-(2,6-Dichlorobenzyl)-1H-pyrazol-3-yl isothiocyanate; 1-(2,6-Dichlorobenzyl)pyrazol-3-yl isothiocyanate; 1H-Pyrazole-3-isothiocyanate, 1-[(2,6-dichlorophenyl)methyl]-; 1004193-34-3
EINECS	Contact for details

Quality Control

Our production of 1-(2,6-Dichloro-Benzyl)-3-Isothiocyanato-1H-Pyrazole adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for research applications. Each lot is supported by a comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles. We employ advanced analytical techniques including HPLC, GC-MS, NMR, and IR spectroscopy to verify specifications. Our quality management system is designed to meet the exacting standards required for pharmaceutical and agrochemical intermediate supply.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept 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
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0% (Area Percent)
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals (as Pb)	≤ 20 ppm

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