Description

4-Iodobenzyl Isothiocyanate is a versatile and reactive organoiodine compound that serves as a critical building block in advanced organic synthesis. Its unique structure, featuring both an isothiocyanate group and an iodine atom, makes it a valuable precursor for constructing complex molecules with tailored properties. This high-purity intermediate is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and material science industries, enabling the development of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of potential drug candidates, particularly for oncology and anti-inflammatory targets.
• Agrochemical Research: Used to develop novel herbicides, fungicides, and plant growth regulators by introducing the benzyl isothiocyanate moiety.
• Chemical Biology Probe: Serves as a reactive handle for bioconjugation and labeling of biomolecules due to the electrophilic isothiocyanate group.
• Material Science: Building block for synthesizing specialized polymers, liquid crystals, and organic electronic materials.
• Cross-coupling Reactions: The iodine atom acts as a site for palladium-catalyzed reactions (e.g., Suzuki, Sonogashira) to create diverse biaryl structures.
• Library Synthesis: Employed in high-throughput and combinatorial chemistry for generating diverse compound libraries for screening.

Basic Information

Product Name	4-Iodobenzyl Isothiocyanate
CAS No.	3694-49-3
Molecular Formula	C8H6INS
Molecular Weight	275.11 g/mol
Synonyms	1-(Isothiocyanatomethyl)-4-iodobenzene; p-Iodobenzyl Isothiocyanate; 4-Iodophenylmethyl Isothiocyanate; (4-Iodophenyl)methyl Isothiocyanate; NSC 401122; 4-Iodo-benzylisothiocyanate; Benzene, 1-(isothiocyanatomethyl)-4-iodo-
EINECS	Contact for details

Quality Control

Every batch of 4-Iodobenzyl Isothiocyanate is manufactured and tested under strict quality management protocols to ensure consistency and reliability for your critical applications. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing purity, identity, and impurity profiles. Our quality systems are designed to support cGMP and ISO standards for advanced chemical intermediates, ensuring traceability and compliance for global supply chains.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Melting Point	Contact for details
Heavy Metals	< 10 ppm
Residual Solvents (GC)	Complies with ICH guidelines
Water Content (KF)	< 0.5%

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