Description

1-Isopropoxy-4-Isothiocyanatobenzene is a specialized organic compound featuring both an isopropoxy ether and a reactive isothiocyanate functional group. This unique structure makes it a valuable building block and intermediate in advanced organic synthesis, particularly for the creation of thiourea derivatives and heterocyclic compounds. It is primarily utilized by pharmaceutical, agrochemical, and material science research and development teams seeking to develop new active ingredients or functional polymers.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, especially those targeting specific enzyme inhibition via thiourea linkage formation.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, where the isothiocyanate moiety introduces bioactive properties.
• Polymer & Material Science: Serves as a functional monomer or cross-linking agent for producing specialty polymers with tailored thermal or mechanical properties.
• Chemical Research: Employed in academic and industrial R&D labs as a versatile reagent for constructing complex molecular architectures and heterocycles.
• Ligand & Chelator Preparation: Useful for synthesizing novel ligands for metal catalysis or chelating agents for analytical chemistry applications.

Basic Information

Item	Details
Product Name	1-Isopropoxy-4-Isothiocyanatobenzene
CAS No.	50785-46-1
Molecular Formula	C10H11NO2S
Molecular Weight	209.26 g/mol
Synonyms	4-Isopropoxybenzene isothiocyanate; 4-Isopropoxyphenyl isothiocyanate; p-Isopropoxyphenyl isothiocyanate; 1-Isothiocyanato-4-isopropoxybenzene; Isopropoxybenzene isothiocyanate; Benzene, 1-isopropoxy-4-isothiocyanato-; (4-Isopropoxyphenyl) isothiocyanate
EINECS	Contact for details

Quality Control

Our production of 1-Isopropoxy-4-Isothiocyanatobenzene adheres to stringent quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC for purity, IR and NMR for structural confirmation, and GC for residual solvent analysis. We provide a detailed Certificate of Analysis (COA) with each shipment, ensuring full traceability and compliance with your research or production specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation from atmospheric moisture.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or crystalline solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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