Description

4-Methylbenzyl Isothiocyanate is a versatile organic building block and bioactive compound of significant interest in synthetic and agrochemical chemistry. Its value lies in its reactive isothiocyanate functional group, which readily undergoes addition and cyclization reactions to form valuable heterocyclic structures. This compound is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and specialty chemical sectors, serving as a key intermediate for the development of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of potential drug candidates, particularly those with sulfur-containing heterocycles for therapeutic applications.
• Agrochemical Synthesis: Used in the development of novel pesticides, herbicides, and fungicides, leveraging its bioactivity as a starting point for new active ingredients.
• Chemical Research & Development: Serves as a versatile building block in organic synthesis for creating libraries of compounds in medicinal and materials chemistry.
• Flavor & Fragrance Industry: Potential intermediate for synthesizing specific sulfur-containing aroma compounds, subject to purity and regulatory compliance.
• Crosslinking Agent: Can be employed in polymer chemistry to introduce reactive sites for crosslinking, modifying material properties.
• Bioconjugation Reagent: Useful in biochemical research for labeling proteins or other biomolecules via reaction with amine groups.

Basic Information

Product Name	4-Methylbenzyl Isothiocyanate
CAS No.	3694-46-0
Molecular Formula	C9H9NS
Molecular Weight	163.24 g/mol
Synonyms	p-Methylbenzyl Isothiocyanate; (4-Methylphenyl)methyl Isothiocyanate; 1-(Isothiocyanatomethyl)-4-methylbenzene; 4-Methylbenzyl Mustard Oil; p-Tolylmethyl Isothiocyanate; p-Xylyl Isothiocyanate; NSC 401108; 4-Methylbenzylisothiocyanate
EINECS	223-025-5

Quality Control

Our 4-Methylbenzyl Isothiocyanate is produced under strict quality management protocols. Every batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistency. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to guarantee it meets your specific R&D or production requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Due to its highly volatile nature, ensure containers are securely sealed when not in use and stored away from heat and open flame. Keep away from strong bases and incompatible materials.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Individual impurity ≤ 1.0%

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