Description

1-(2-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 advanced pharmaceutical intermediate and a versatile building block for medicinal chemistry research. It is primarily needed by R&D scientists and process chemists in the pharmaceutical, agrochemical, and specialty chemical industries for the synthesis of novel active compounds.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of potential drug candidates, particularly in kinase inhibitor and anti-inflammatory research.
• Medicinal Chemistry Building Block: Utilized for structure-activity relationship (SAR) studies and library synthesis due to its reactive isothiocyanate group for forming thiourea linkages.
• Agrochemical Research: Used in the development of novel herbicides, fungicides, and insecticides, leveraging the pyrazole core's bioactivity.
• Chemical Biology Probe Synthesis: Acts as a starting material for creating affinity probes or labeled compounds for target identification and validation.
• Material Science: Investigated as a monomer or cross-linking agent for specialty polymers with tailored properties.

Basic Information

Product Name	1-(2-Fluoro-Benzyl)-4-Isothiocyanato-3,5-Dimethyl-1H-Pyrazole
CAS No.	1004193-40-1
Molecular Formula	C13H12FN3S
Molecular Weight	261.32 g/mol
Synonyms	4-Isothiocyanato-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole; 1-[(2-Fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-1H-pyrazole; 1-(2-Fluorobenzyl)-4-isothiocyanato-3,5-dimethylpyrazole; 3,5-Dimethyl-1-(2-fluorobenzyl)-1H-pyrazole-4-isothiocyanate; 1-(2-Fluoro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole; 1004193-40-1; 1H-Pyrazole, 1-[(2-fluorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-
EINECS	Contact for details

Quality Control

Our 1-(2-Fluoro-Benzyl)-4-Isothiocyanato-3,5-Dimethyl-1H-Pyrazole is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided and available upon request to support your quality assurance and regulatory needs.

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). Keep away from heat, open flames, and incompatible materials. The container should be kept tightly sealed to prevent moisture absorption and degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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