Description

3-Isothiocyanato-1-(4-Methyl-Benzyl)-1H-Pyrazole is a specialized heterocyclic organic compound featuring both pyrazole and isothiocyanate functional groups. This unique bifunctional structure makes it a valuable high-purity building block for advanced chemical synthesis, particularly in the development of novel active molecules. It is primarily utilized by pharmaceutical and agrochemical research organizations engaged in medicinal chemistry and crop protection science.

Application

• Pharmaceutical Intermediate: A key synthon for the research and development of new drug candidates, particularly in creating molecules with potential biological activity.
• Agrochemical Synthesis: Serves as a crucial building block in the design and synthesis of novel herbicides, fungicides, and insecticides.
• Chemical Biology Probe Development: Used to create isothiocyanate-functionalized probes for studying protein interactions and enzyme activity.
• Material Science Research: Employed in the synthesis of specialized polymers and functional materials that require heterocyclic components.
• Custom Synthesis and Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific synthesis projects.

Basic Information

Product Name	3-Isothiocyanato-1-(4-Methyl-Benzyl)-1H-Pyrazole
CAS No.	1004194-38-0
Molecular Formula	C12H11N3S
Molecular Weight	229.30 g/mol
Synonyms	1-(4-Methylbenzyl)-1H-pyrazole-3-isothiocyanate; 1-(4-Methylbenzyl)-3-isothiocyanato-1H-pyrazole; 3-Isothiocyanato-1-(4-methylbenzyl)-1H-pyrazole; 1H-Pyrazole-3-isothiocyanate, 1-[(4-methylphenyl)methyl]-; 1-(p-Methylbenzyl)pyrazole-3-isothiocyanate
EINECS	Contact for details

Quality Control

Our 3-Isothiocyanato-1-(4-Methyl-Benzyl)-1H-Pyrazole is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and GC-MS, to ensure high chemical purity and structural identity. A detailed Certificate of Analysis (COA) is provided with every shipment, confirming compliance with agreed specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere if possible to prevent 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%
Loss on Drying	≤ 0.5%

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