Description

4-Hydroxybenzyl Isothiocyanate is a specialized organic compound belonging to the class of isothiocyanates, characterized by the presence of a reactive N=C=S group attached to a 4-hydroxybenzyl moiety. This structure makes it a valuable key synthetic intermediate and research chemical for the development of novel bioactive molecules. It is primarily utilized by pharmaceutical, agrochemical, and life science research organizations engaged in drug discovery, chemical biology, and the synthesis of natural product analogs.

Application

• Pharmaceutical Intermediate: Serves as a crucial building block in the synthesis of potential drug candidates, particularly those targeting cancer, inflammation, and microbial infections.
• Agrochemical Research: Used in the development of novel pesticides and herbicides, leveraging the bioactivity of the isothiocyanate functional group.
• Chemical Biology Probe: Acts as an electrophilic warhead in activity-based protein profiling (ABPP) to label and study cysteine-containing enzymes and proteins.
• Natural Product Synthesis: A key precursor for synthesizing analogs of glucosinolate-derived compounds found in cruciferous vegetables (e.g., broccoli, cabbage).
• Material Science: Investigated as a monomer or cross-linking agent for creating polymers with specific functional properties.
• Bioconjugation: Employed for modifying peptides, proteins, or other biomolecules due to its selective reactivity with thiol and amine groups.

Basic Information

Product Name	4-Hydroxybenzyl Isothiocyanate
CAS No.	2086-86-4
Molecular Formula	C8H7NOS
Molecular Weight	165.21 g/mol
Synonyms	p-Hydroxybenzyl Isothiocyanate; 4-(Isothiocyanatomethyl)phenol; 1-Isothiocyanato-4-(hydroxymethyl)benzene; 4-Hydroxybenzyl mustard oil; (4-Hydroxyphenyl)methyl isothiocyanate; NSC 401565; Benzyl isothiocyanate, 4-hydroxy-
EINECS	218-228-9

Quality Control

Our 4-Hydroxybenzyl Isothiocyanate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing to ensure high purity, identity, and consistency. Standard quality control includes chromatographic purity analysis (HPLC/GC) and spectroscopic identification (IR, NMR). A comprehensive Certificate of Analysis (COA) detailing all test results and specifications is provided with every shipment. We can support development projects with custom purity grades and analytical data packages upon request.

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 and moisture-sensitive nature, the container must be kept tightly sealed after each use to prevent degradation. Keep away from heat, sparks, and open flame.

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	≤ 1.0%
Heavy Metals	< 20 ppm

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