Description

1-(2-Chloro-Benzyl)-3-Isothiocyanato-1H-Pyrazole is a specialized heterocyclic organic compound featuring a pyrazole core functionalized with both a chlorobenzyl and an isothiocyanate group. This unique molecular architecture makes it a versatile and high-value building block for advanced chemical synthesis, particularly in the development of novel active ingredients. It is primarily utilized by research institutions and industrial R&D departments in the agrochemical and pharmaceutical sectors for creating new molecules with targeted biological activities.

Application

• Agrochemical Intermediate: A key precursor in the synthesis of novel pesticides, herbicides, and fungicides, leveraging the reactivity of the isothiocyanate group.
• Pharmaceutical Research: Serves as a crucial scaffold for medicinal chemistry programs aimed at developing new therapeutic agents.
• Chemical Biology Probe: Used in the development of activity-based probes (ABPs) to study enzyme function and mechanism due to the electrophilic isothiocyanate moiety.
• Organic Synthesis Building Block: Employed in multi-step synthetic routes to construct complex heterocyclic systems for material science and fine chemical applications.
• Ligand Synthesis: Potential use in the preparation of specialized ligands for catalysis or metal-organic frameworks (MOFs).

Basic Information

Product Name	1-(2-Chloro-Benzyl)-3-Isothiocyanato-1H-Pyrazole
CAS No.	1004194-44-8
Molecular Formula	C11H8ClN3S
Molecular Weight	249.72 g/mol
Synonyms	1-[(2-Chlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole; 1-(2-Chlorobenzyl)-1H-pyrazole-3-isothiocyanate; 3-Isothiocyanato-1-(2-chlorobenzyl)-1H-pyrazole; 1H-Pyrazole-3-isothiocyanate, 1-[(2-chlorophenyl)methyl]-; 1004194-44-8; 2-Chlorobenzyl pyrazole isothiocyanate
EINECS	Contact for details

Quality Control

Our production of 1-(2-Chloro-Benzyl)-3-Isothiocyanato-1H-Pyrazole adheres to stringent internal quality standards to ensure batch-to-batch consistency and high purity. Each lot is characterized using advanced analytical techniques including HPLC, NMR, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to support your quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

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%
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.