Description

1-(3-Fluoro-Benzyl)-3-Isothiocyanato-1H-Pyrazole is a specialized heterocyclic building block containing both a pyrazole core and a reactive isothiocyanate functional group. This compound is of significant value in medicinal chemistry and agrochemical research for the synthesis of novel bioactive molecules. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical and crop protection industries to create libraries of potential drug candidates and active ingredients.

Application

• Pharmaceutical Intermediate: A key synthon for the development of new therapeutic agents, particularly in kinase inhibitor and anti-cancer drug discovery programs.
• Agrochemical Research: Serves as a precursor in the synthesis of novel herbicides, fungicides, and insecticides, leveraging the bioactivity of the pyrazole-isothiocyanate scaffold.
• Chemical Biology Probe Development: Used to create covalent inhibitors or affinity probes for target protein identification and validation studies.
• Material Science Research: Investigated as a monomer or cross-linking agent in the development of advanced polymers with specific functional properties.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs and research organizations for bespoke synthesis projects requiring high-purity, complex heterocycles.

Basic Information

Product Name	1-(3-Fluoro-Benzyl)-3-Isothiocyanato-1H-Pyrazole
CAS No.	1004194-45-9
Molecular Formula	C11H8FN3S
Molecular Weight	233.26 g/mol
Synonyms	1-[(3-Fluorophenyl)methyl]-1H-pyrazole-3-isothiocyanate; 3-Isothiocyanato-1-(3-fluorobenzyl)-1H-pyrazole; 1-(3-Fluorobenzyl)-1H-pyrazole-3-isothiocyanate; 1-(3-Fluorobenzyl)pyrazole-3-isothiocyanate; 1H-Pyrazole-3-isothiocyanate, 1-[(3-fluorophenyl)methyl]-; CAS 1004194-45-9
EINECS	Contact for details

Quality Control

Our 1-(3-Fluoro-Benzyl)-3-Isothiocyanato-1H-Pyrazole is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and LC-MS, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with every shipment, confirming compliance with customer specifications. Our quality commitment supports applications in GMP and ISO-regulated environments.

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. Keep away from heat and incompatible materials.

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%
Residual Solvents (GC)	Meets ICH guidelines

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