Description

2,2',2'',2''',2'''',2'''''-[(Benzene-1,2,3,4,5,6-Hexyl)Hexakis(Methylene)]Hexakis(Isothiourea) is a sophisticated hexafunctional organic compound featuring a central benzene core symmetrically substituted with six isothiourea groups via methylene linkers. This unique molecular architecture makes it a valuable multidentate ligand and building block for advanced materials and coordination chemistry. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and specialty polymer industries for developing novel catalysts, chelating agents, and functional monomers.

Application

• Metal Chelation & Catalyst Synthesis: Acts as a hexadentate ligand for complexing transition metals, useful in creating homogeneous catalysts for organic synthesis.
• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of complex drug molecules, particularly those requiring multi-point binding or specific stereochemistry.
• Polymer Cross-linking Agent: Used to introduce multiple reactive sites into polymer matrices, enhancing cross-link density and material properties in specialty resins and coatings.
• Agrochemical Research: Employed in the development of novel plant protection agents and growth regulators that require specific metal-binding functionalities.
• Analytical Chemistry Reagent: Functions as a derivatization agent or a selective complexing agent in chromatographic and spectroscopic methods for metal ion detection.
• Material Science Research: Investigated for the construction of metal-organic frameworks (MOFs), dendritic polymers, and other supramolecular structures.

Basic Information

Product Name	2,2',2'',2''',2'''',2'''''-[(Benzene-1,2,3,4,5,6-Hexyl)Hexakis(Methylene)]Hexakis(Isothiourea)
CAS No.	64039-41-4
Molecular Formula	C27H42N12S6
Molecular Weight	735.12 g/mol
Synonyms	Hexakis(isothiocyanatomethyl)benzene; 1,2,3,4,5,6-Hexakis(isothiocyanatomethyl)benzene; Benzene-1,2,3,4,5,6-hexaylhexamethylene hexaisothiocyanate; Hexamethylene hexaisothiocyanate benzene derivative; Per-methylenebenzene hexaisothiourea; BHHIT; HICMB
EINECS	Contact for details

Quality Control

Our production of 2,2',2'',2''',2'''',2'''''-[(Benzene-1,2,3,4,5,6-Hexyl)Hexakis(Methylene)]Hexakis(Isothiourea) adheres to a rigorous quality management system. Each batch undergoes comprehensive analytical testing to ensure identity, purity, and consistency. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting key parameters such as assay, impurity profile, and physical characteristics. We support custom synthesis and purity grades to meet specific research and development requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) to prevent moisture absorption and degradation. Recommended long-term storage temperature is 2-8°C.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 95.0%
Loss on Drying	≤ 2.0%
Residue on Ignition	≤ 0.5%
Heavy Metals (as Pb)	≤ 20 ppm
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 5.0%

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