Description

1-(3-Chloro-Benzyl)-4-Isothiocyanato-1H-Pyrazole is a specialized pyrazole derivative containing both a chlorobenzyl and an isothiocyanate functional group. This unique bifunctional structure makes it a valuable high-purity chemical intermediate for advanced synthesis in pharmaceutical and agrochemical research. It is primarily needed by R&D chemists and process development scientists working on the creation of novel active ingredients, particularly in the fields of medicinal chemistry and crop protection.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel drug candidates, particularly in the development of kinase inhibitors and other targeted therapies.
• Agrochemical Research: Used in the discovery and development of new pesticides and herbicides, leveraging its reactive isothiocyanate group.
• Chemical Biology Probe: Serves as a tool compound for protein labeling and activity-based proteomics studies due to the electrophilic isothiocyanate moiety.
• Material Science Research: Potential intermediate for synthesizing functional polymers or ligands for metal-organic frameworks (MOFs).
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific synthesis projects.

Basic Information

Product Name	1-(3-Chloro-Benzyl)-4-Isothiocyanato-1H-Pyrazole
CAS No.	1004193-35-4
Molecular Formula	C11H8ClN3S
Molecular Weight	249.72 g/mol
Synonyms	4-Isothiocyanato-1-(3-chlorobenzyl)-1H-pyrazole; 1-(3-Chlorobenzyl)-1H-pyrazole-4-isothiocyanate; 1-(3-Chlorobenzyl)-4-isothiocyanatopyrazole; 1H-Pyrazole, 1-[(3-chlorophenyl)methyl]-4-isothiocyanato-; 3-Chloro-Benzyl-4-isothiocyanato-pyrazole
EINECS	Contact for details

Quality Control

Our 1-(3-Chloro-Benzyl)-4-Isothiocyanato-1H-Pyrazole is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation by NMR and IR spectroscopy, to ensure it meets the high standards required for research and development. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment.

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). Keep away from heat, sparks, and open flame. Due to the reactive isothiocyanate group, minimize exposure to moisture and store under an inert atmosphere for long-term stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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