Description

1-Bromo-4-Isothiocyanatomethylbenzene is a versatile bifunctional aromatic building block containing both a reactive bromine and an isothiocyanate group. This compound matters for its utility in the synthesis of complex molecules, particularly in medicinal chemistry and materials science, where it serves as a key intermediate for creating thiourea derivatives and other functionalized structures. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for constructing targeted molecular scaffolds.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly those containing thiourea or thiazole moieties.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and pesticides that require specific aromatic-thiocarbonyl linkages.
• Ligand and Chelator Preparation: Serves as a starting material for creating specialized ligands used in catalysis and metal ion complexation studies.
• Bioconjugation and Probe Development: The isothiocyanate group enables covalent bonding to amines, making it useful for labeling proteins, peptides, and other biomolecules in research applications.
• Polymer and Materials Science: Acts as a monomer or cross-linking agent for introducing aromatic and sulfur-containing functionalities into polymers and advanced materials.
• Chemical Biology Research: Employed in the design and synthesis of chemical probes for studying enzyme activity and biological pathways.

Basic Information

Product Name	1-Bromo-4-Isothiocyanatomethylbenzene
CAS No.	155863-32-4
Molecular Formula	C8H6BrNS
Molecular Weight	228.11 g/mol
Synonyms	4-(Bromomethyl)phenyl isothiocyanate; p-(Bromomethyl)phenyl isothiocyanate; 1-Bromo-4-(isothiocyanatomethyl)benzene; (4-Isothiocyanatophenyl)methyl bromide; α-Bromo-p-tolyl isothiocyanate; 4-Bromomethylphenyl isothiocyanate; NSC 405124
EINECS	Contact for details

Quality Control

Our 1-Bromo-4-Isothiocyanatomethylbenzene is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and FTIR, to ensure identity, purity, and consistency. Certificates of Analysis (COA) with detailed specifications are provided for every shipment, ensuring full traceability and compliance with your research or production requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (typically 15-25°C). This compound is moisture-sensitive and should be kept under an inert atmosphere for long-term storage to maintain stability. Keep away from strong bases and amines.

Specification

Item	Specification
Appearance	White to off-white crystalline solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details

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