Description

3-Phenylbenzyl Isothiocyanate is a specialized aromatic isothiocyanate derivative of significant interest in advanced organic synthesis. This compound serves as a versatile and high-value building block for the development of novel chemical entities, particularly in pharmaceutical and agrochemical research. It is primarily sought after by R&D chemists and process development scientists in the fine chemical, pharmaceutical, and life science industries for constructing complex molecular scaffolds.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of potential drug candidates, particularly those targeting specific enzyme pathways.
• Agrochemical Research: Used in the development of novel herbicides, fungicides, or plant growth regulators due to its reactive isothiocyanate group.
• Chemical Biology Probe: Employed in the design and synthesis of activity-based probes (ABPs) for studying enzyme function and target identification.
• Material Science: Serves as a monomer or cross-linking agent in the development of specialized polymers with unique thermal or mechanical properties.
• Ligand Synthesis: Utilized for creating novel ligands for catalysis or metal-organic frameworks (MOFs).
• Flavor & Fragrance Chemistry: Acts as an intermediate for synthesizing complex aromatic compounds used in high-value fragrance formulations.

Basic Information

Product Name	3-Phenylbenzyl Isothiocyanate
CAS No.	1001569-47-6
Molecular Formula	C14H11NS
Molecular Weight	225.31 g/mol
Synonyms	(3-Phenylphenyl)methyl isothiocyanate; m-Phenylbenzyl isothiocyanate; 1-Isothiocyanatomethyl-3-phenylbenzene; [1,1'-Biphenyl]-3-ylmethyl isothiocyanate; 3-Benzylphenyl isothiocyanate; NSC 106101; 3-Phenylbenzyl mustard oil
EINECS	Contact for details

Quality Control

Our 3-Phenylbenzyl Isothiocyanate is produced under strict quality management protocols to ensure batch-to-batch consistency and high purity suitable for research and development applications. Each lot is characterized using advanced analytical techniques including HPLC, GC-MS, and NMR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory documentation needs.

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, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or low-melting solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0% (Area %)
Water Content (KF)	≤ 0.5%

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