Description

1-(4-Bromo-Benzyl)-4-Isothiocyanato-3,5-Dimethyl-1H-Pyrazole is a specialized heterocyclic building block featuring a reactive isothiocyanate group. This compound is of significant value in medicinal chemistry and agrochemical research for its utility as a versatile synthetic intermediate. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical and crop protection industries for constructing novel molecular scaffolds. The CAS number for this compound is 1004193-41-2.

Application

This high-purity chemical intermediate is designed for advanced research and development applications where precise molecular construction is critical.

• Pharmaceutical Intermediate: Serves as a key building block for the synthesis of novel drug candidates, particularly in kinase inhibitor and other targeted therapeutic programs.
• Agrochemical Research: Used in the development of new pesticides and herbicides, leveraging its heterocyclic core for bioactivity.
• Chemical Biology Probe Development: The reactive isothiocyanate group allows for covalent modification of proteins, useful in creating activity-based probes for target identification.
• Material Science Research: Potential precursor for the synthesis of specialized ligands or functional monomers in advanced polymer systems.
• Custom Synthesis & Contract Manufacturing: A critical starting material for CDMOs (Contract Development and Manufacturing Organizations) producing bespoke compounds for client projects.

Basic Information

Product Name	1-(4-Bromo-Benzyl)-4-Isothiocyanato-3,5-Dimethyl-1H-Pyrazole
CAS No.	1004193-41-2
Molecular Formula	C13H12BrN3S
Molecular Weight	322.22 g/mol
Synonyms	4-Isothiocyanato-1-[(4-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazole; 1-[(4-Bromophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-1H-pyrazole; 1-(4-Bromobenzyl)-4-isothiocyanato-3,5-dimethylpyrazole; 3,5-Dimethyl-1-(4-bromobenzyl)-4-isothiocyanato-1H-pyrazole; 4-Isothiocyanato-1-(4-bromobenzyl)-3,5-dimethylpyrazole; Pyrazole isothiocyanate derivative (4-Bromo-Benzyl)
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. We provide material suitable for research and development under a comprehensive quality management system. Every batch is characterized and tested to confirm identity and purity, with full traceability. Certificates of Analysis (COA) detailing purity, assay, and impurity profiles are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). Keep away from heat, open flames, and incompatible materials. Due to the reactive isothiocyanate group, ensure containers are sealed under an inert atmosphere if specified for long-term storage.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	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.