Description

4-Isothiocyanato-1-(4-Methyl-Benzyl)-1H-Pyrazole CAS NO 1004193-45-6 is a specialized heterocyclic organic compound featuring both a pyrazole core and a reactive isothiocyanate functional group. This unique structure makes it a valuable and versatile building block in advanced chemical synthesis, particularly for the development of novel pharmaceuticals and agrochemicals. It is primarily sought after by research chemists and process development scientists in the pharmaceutical, biotechnology, and agrochemical industries for creating targeted molecular libraries and active ingredients.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those targeting specific enzymes or receptors where the isothiocyanate moiety can be utilized for conjugation or as a pharmacophore.
• Agrochemical Research: Serves as a critical building block for developing new herbicides, fungicides, or insecticides with enhanced efficacy and selectivity.
• Chemical Biology Probe Development: Used to create activity-based probes for studying enzyme function and protein interactions within biological systems.
• Material Science: Potential monomer or cross-linking agent in the synthesis of specialized polymers with unique thermal or mechanical properties.
• Academic & Contract Research: Essential for fundamental organic chemistry research and for contract research organizations (CROs) supporting drug discovery programs.

Basic Information

Product Name	4-Isothiocyanato-1-(4-Methyl-Benzyl)-1H-Pyrazole
CAS No.	1004193-45-6
Molecular Formula	C12H11N3S
Molecular Weight	229.30 g/mol
Synonyms	1-[(4-Methylphenyl)methyl]-1H-pyrazole-4-isothiocyanate; 1-(4-Methylbenzyl)-1H-pyrazole-4-isothiocyanate; 4-Isothiocyanato-1-(4-methylbenzyl)-1H-pyrazole; 1H-Pyrazole-4-isothiocyanate, 1-[(4-methylphenyl)methyl]-; 4-NCS-1-(4-Methylbenzyl)pyrazole
EINECS	Contact for details

Quality Control

Our production of 4-Isothiocyanato-1-(4-Methyl-Benzyl)-1H-Pyrazole adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity for research and development applications. Each lot undergoes comprehensive analytical characterization, including HPLC, NMR, and MS, to confirm identity and purity. A Certificate of Analysis (COA) detailing all specifications and test results is provided with every shipment to support your quality assurance and regulatory documentation 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 (typically 15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed to prevent moisture absorption, which can affect stability and reactivity. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95%
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Meets ICH guidelines

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