Description

1-(4-Bromo-Benzyl)-4-Isothiocyanato-1H-Pyrazole is a high-purity, multi-functional heterocyclic building block containing both bromo and isothiocyanate reactive handles. This compound is valued for its versatility in facilitating complex molecular construction, particularly in the synthesis of targeted bioactive molecules. It is primarily sought by research and development teams in the pharmaceutical and agrochemical sectors for use in medicinal chemistry, chemical biology, and as a key intermediate in custom synthesis projects.

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of novel drug candidates, particularly in kinase inhibitor and other targeted therapy research.
• Medicinal Chemistry: Used in structure-activity relationship (SAR) studies and lead optimization due to its dual reactive sites for parallel and combinatorial chemistry.
• Chemical Biology Probe Development: The isothiocyanate group enables covalent conjugation to proteins or other biomolecules for probe and inhibitor design.
• Agrochemical Research: Serves as a key intermediate in the development of new pesticides and herbicides.
• Custom Synthesis & Contract Manufacturing: Employed by CDMOs for the production of specialized, high-value compounds for client projects.
• Academic Research: Used in universities and research institutes for methodological development in organic synthesis and heterocyclic chemistry.

Basic Information

Product Name	1-(4-Bromo-Benzyl)-4-Isothiocyanato-1H-Pyrazole
CAS No.	1004193-49-0
Molecular Formula	C11H8BrN3S
Molecular Weight	294.17 g/mol
Synonyms	1-[(4-Bromophenyl)methyl]-4-isothiocyanato-1H-pyrazole; 4-Isothiocyanato-1-(4-bromobenzyl)-1H-pyrazole; 1-(4-Bromobenzyl)-1H-pyrazole-4-isothiocyanate; 1-(p-Bromobenzyl)-4-isothiocyanatopyrazole; 1H-Pyrazole, 1-[(4-bromophenyl)methyl]-4-isothiocyanato-; 1004193-49-0; BBPI
EINECS	Contact for details

Quality Control

Our 1-(4-Bromo-Benzyl)-4-Isothiocyanato-1H-Pyrazole is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity, NMR and IR for structural confirmation, and residual solvent analysis, to ensure it meets the exacting standards required for research and development applications. A detailed Certificate of Analysis (COA) is provided with every shipment to guarantee traceability, consistency, and compliance with your specifications.

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). This compound is moisture-sensitive; keep the container tightly sealed under an inert atmosphere if necessary. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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