56187-09-8

Basic information

• Product Name: HEXACYCLEN TRISULFATE
• Synonyms: 1,4,7,10,13,16-hexaazacyclooctadecane,sulfate(1:3);1,4,7,10,13,16-HEXAAZACYCLOOCTADECANE TRISULFATE;HEXACYCLEN TRISULFATE;KRYPTOFIX 22 AZA TRISULFATE;Hexacyclen trisulfate salt;KRYPTOFIX 22 AZA TRISULFATE 98+%;1,4,7,10,13,16-hexaazacyclooctadecane trisulfate salt;HEXAAZA-18-CROWN-6 TRISULFATE
• CAS NO: 56187-09-8
• Molecular Formula: C₁₂H₃₆N₆*3O₄S
• Molecular Weight: 552.64
• Mol File: 56187-09-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 449.8°C at 760 mmHg
• Flash Point: 243.9°C
• Appearance: /
• Vapor Pressure: 2.78E-08mmHg at 25°C
• BRN: 5195914
• CAS DataBase Reference: HEXACYCLEN TRISULFATE(CAS DataBase Reference)
• NIST Chemistry Reference: HEXACYCLEN TRISULFATE(56187-09-8)
• EPA Substance Registry System: HEXACYCLEN TRISULFATE(56187-09-8)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 3261 8/PG 2
• WGK Germany: 3
• RTECS: MK9330000
• F: 3-10
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 56187-09-8(Hazardous Substances Data)

Usage

Description

HEXACYCLEN TRISULFATE is a chemical compound known for its unique properties and applications in various fields. It is characterized by its ability to form complexes with transition metals and act as a ligand in chemical reactions.

Uses

Used in Chemical Synthesis:
HEXACYCLEN TRISULFATE is used as a ligand in the preparation of transition metal complexes. This application is crucial for the development of new materials and catalysts in the chemical industry.
Used in Polymer Chemistry:
HEXACYCLEN TRISULFATE is also utilized in chromium-initiated radical copolymerization reactions. Its role as a ligand in these reactions contributes to the formation of polymers with specific properties, which can be tailored for various applications in different industries.

InChI:InChI=1/C12H30N6.3H2O4S/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;3*1-5(2,3)4/h13-18H,1-12H2;3*(H2,1,2,3,4)

Upstream product

• 296-35-5 1,4,7,10,13,16-hexaazacyclooctadecane 

Downstream Products

• 79676-97-4 1,4,7,10,13,16-hexamethyl-1,4,7,10,13,16-hexaazacyclooctadecane 
• 88554-06-7 1,4,7,10,13,16-hexabenzyl-1,4,7,10,13,16-hexaazacyclooctadecane 
• 296-35-5 1,4,7,10,13,16-hexaazacyclooctadecane 

Relevant articles and documents

Binding of inorganic oxoanions to macrocyclic ligands: Interactions of sulfate and dithionate with protonated forms of [18]aneN6

Three sulfate-macrocycle adducts [H6L(HSO4) 4(SO4)] · H2O (1), [H 6L(SO4)3] (2) and [H6L(HSO 4)2Cl4] · 2H2O (3) (where L = [18]aneN6) were crystallized from solutions containing the macrocycle and the appropriate inorganic acids, and [H4L(S 2O6)2] · 2H2O (4) from an aqueous solution of the macrocycle and sodium dithionate. All four structures show that the polyammonium groups on the protonated macrocycle participate in 'co-ordination' or supramolecular interactions with one or more oxygen atoms from the polyoxoanions (i.e., SO42-, HSO4 or S2O62-). In 3, the protonated macrocyclic cavity holds the two chloride anions in preference to the oxoanions. The sulfate anions show remarkable versatility in their interactions with the macrocycle. Of particular note is a unique η-5 N-H...O cluster involving the sole sulfate anion in 1, but there are many common features throughout the structures, such as the inclusion of one anion on either side of the macrocycle and the participation of all ammonium protons in H-bonding interactions.