Description

3-Cyanophenyl Isothiocyanate is a versatile aromatic isothiocyanate derivative that serves as a critical building block in advanced organic synthesis. Its bifunctional nature, featuring both a reactive isothiocyanate group and a cyano substituent, makes it invaluable for constructing complex heterocyclic scaffolds and functionalized intermediates. This high-purity compound is primarily sought by research institutions and manufacturers in the pharmaceutical, agrochemical, and material science industries for developing novel active ingredients and specialty polymers.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of potential drug candidates, particularly for creating thiourea and heterocyclic compounds with biological activity.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, leveraging its ability to introduce the thiocarbamide moiety.
• Material Science Research: Serves as a monomer or cross-linking agent in the development of specialty polymers, resins, and advanced functional materials.
• Chemical Biology & Proteomics: Acts as a reactive handle for bioconjugation and labeling of biomolecules due to the specific reactivity of the isothiocyanate group with amines.
• Dye and Pigment Intermediate: Employed in the synthesis of complex organic dyes and pigments where the cyano and isothiocyanate groups contribute to color properties and stability.
• Ligand Synthesis for Catalysis: Building block for creating novel ligands used in transition metal catalysis and coordination chemistry.

Basic Information

Product Name	3-Cyanophenyl Isothiocyanate
CAS No.	3125-78-8
Molecular Formula	C8H4N2S
Molecular Weight	160.20 g/mol
Synonyms	3-Isothiocyanatobenzonitrile; m-Cyanophenyl Isothiocyanate; 1-Isothiocyanato-3-cyanobenzene; Benzonitrile, 3-isothiocyanato-; 3-Cyanophenyl mustard oil; 3-CN-Ph-NCS
EINECS	Contact for details

Quality Control

Our 3-Cyanophenyl Isothiocyanate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR spectroscopy, to ensure it meets the high standards required for research and industrial synthesis. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting all critical quality parameters. We support cGMP and ISO guidelines for consistent, reliable supply.

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 dry conditions to prevent hydrolysis and 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)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%

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