Description

1-(4-Fluoro-Benzyl)-4-Isothiocyanato-3,5-Dimethyl-1H-Pyrazole is a high-purity, functionalized pyrazole derivative containing both a fluorinated benzyl group and a reactive isothiocyanate moiety. This compound is a critical pharmaceutical intermediate and chemical building block for the synthesis of more complex molecules. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of potential drug candidates, particularly in medicinal chemistry programs targeting kinase inhibitors and other small molecule therapeutics.
• Agrochemical Research: Used in the development of novel pesticides and herbicides, leveraging its reactive isothiocyanate group for creating active molecules.
• Chemical Biology Probe: Serves as a versatile reagent for bioconjugation and labeling of biomolecules (proteins, peptides) due to the specific reactivity of the isothiocyanate group with amines.
• Material Science: Acts as a monomer or cross-linking agent in the synthesis of specialty polymers and functional materials with tailored properties.
• Organic Synthesis: A versatile synthon for constructing heterocyclic compounds and introducing the 4-fluoro-benzyl and isothiocyanate functionalities into target molecules.

Basic Information

Product Name	1-(4-Fluoro-Benzyl)-4-Isothiocyanato-3,5-Dimethyl-1H-Pyrazole
CAS No.	1004193-64-9
Molecular Formula	C13H12FN3S
Molecular Weight	261.32 g/mol
Synonyms	4-Isothiocyanato-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole; 1-[(4-Fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-1H-pyrazole; 1-(4-Fluorobenzyl)-4-isothiocyanato-3,5-dimethylpyrazole; 4-Fluoro-1H-pyrazole derivative; FBP-ITC; 1H-Pyrazole, 1-[(4-fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-
EINECS	Contact for details

Quality Control

Our production of 1-(4-Fluoro-Benzyl)-4-Isothiocyanato-3,5-Dimethyl-1H-Pyrazole adheres to stringent internal quality standards to ensure batch-to-batch consistency and high purity for research and development applications. Each lot is characterized by advanced analytical techniques including HPLC, NMR, and MS. 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). This compound is hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (HPLC)	Conforms to reference standard
Identification (IR)	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.