67590-56-1

Basic information

• Product Name: 4-Ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane
• Synonyms: 4-Ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane
• CAS NO: 67590-56-1
• Molecular Formula: C6H11AsO3
• Molecular Weight: 206.09
• Mol File: 67590-56-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 167°C at 760 mmHg
• Flash Point: 48.1°C
• Appearance: /
• Vapor Pressure: 2.29mmHg at 25°C
• CAS DataBase Reference: 4-Ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane(67590-56-1)
• EPA Substance Registry System: 4-Ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane(67590-56-1)

Safety Data

• Hazardous Substances Data: 67590-56-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H11AsO3/c1-2-6-3-8-7(9-4-6)10-5-6/h2-5H2,1H3

Upstream product

• 77-99-6 1,1,1-tri(hydroxymethyl)propane 

Relevant articles and documents

Pnictogen bonding with alkoxide cages: Which pnictogen is best?

Pnictogen bonding is beginning to emerge as a useful supramolecular interaction. The design strategies for these systems are still in the early stages of development and much attention has been focused on the lighter pnictogens. Pnictogen bond donors can have up to three independent sites for binding which can result in triple pnictogen bonding. This has been observed in the self-Assembly of antimony alkoxide cages, but not with the lighter congeners. This work reports structural characterization of an analogous arsenic alkoxide cage that engages in a single pnictogen bond and synthetic explorations of the bismuth congener. DFT calculations are used to evaluate the differences between the structures. Ultimately the partial charge on the pnictogen and the energy of the pnictogen lone pair dictate the strength, orientation and number of pnictogen bonds that these cages form. Antimony cages strike the best balance between strength and directionality, allowing them to achieve triple pnictogen bonding where the other congeners do not.