Description

4-Chloro-1-(2-Chloro-6-Fluoro-Benzyl)-3-Isothiocyanato-1H-Pyrazole is a high-purity, multi-functional heterocyclic building block of significant interest in advanced organic synthesis. This compound matters for its role as a key intermediate in the development of novel active pharmaceutical ingredients (APIs) and agrochemicals, enabling the introduction of the versatile isothiocyanate functional group. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting various therapeutic areas.
• Agrochemical Synthesis: Used in the research and development of next-generation pesticides, herbicides, and fungicides, leveraging its halogenated pyrazole core.
• Chemical Biology Probe Development: The reactive isothiocyanate group allows for selective conjugation with amines, making it valuable for creating affinity probes and labeled compounds.
• Material Science Research: Acts as a specialized monomer or cross-linking agent in the development of advanced polymers with specific functional properties.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for use in client-specific synthesis projects.

Basic Information

Product Name	4-Chloro-1-(2-Chloro-6-Fluoro-Benzyl)-3-Isothiocyanato-1H-Pyrazole
CAS No.	1004194-52-8
Molecular Formula	C11H6Cl2FN3S
Molecular Weight	318.15 g/mol
Synonyms	4-Chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole; 1-(2-Chloro-6-fluorobenzyl)-4-chloro-3-isothiocyanatopyrazole; 4-Chloro-1-(2-chloro-6-fluorobenzyl)-1H-pyrazole-3-isothiocyanate; CAS 1004194-52-8; Pyrazole, 4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-
EINECS	Contact for details

Quality Control

Our 4-Chloro-1-(2-Chloro-6-Fluoro-Benzyl)-3-Isothiocyanato-1H-Pyrazole is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure high purity and consistent identity. Certificates of Analysis (COA) detailing all specifications are available upon request to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). Keep away from heat, open flames, and incompatible materials. The container must be kept tightly closed to prevent moisture absorption.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (HPLC)	Conforms
Identification (IR)	Conforms
Purity (HPLC)	≥ 98.0%
Related Substances (HPLC)	Total impurities ≤ 2.0%
Loss on Drying	≤ 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.