85683-73-4

Basic information

• Product Name: 1,3-Cyclohexadien-5-yne, 1-chloro-
• CAS NO: 85683-73-4
• Molecular Formula: C6H3Cl
• Molecular Weight: 110.543
• Mol File: 85683-73-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1,3-Cyclohexadien-5-yne, 1-chloro-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Cyclohexadien-5-yne, 1-chloro-(85683-73-4)
• EPA Substance Registry System: 1,3-Cyclohexadien-5-yne, 1-chloro-(85683-73-4)

Safety Data

• Hazardous Substances Data: 85683-73-4(Hazardous Substances Data)

Upstream product

• 62347-12-0 2,6-dichlorophenyllithium 
• 807631-31-8 2-chloro-6-fluorophenyllithium 

Relevant articles and documents

Formation of benzynes from 2,6-dihaloaryllithiums: Mechanistic basis of the regioselectivity

The key elimination step for the formation of 3-chloro- and 3-fluorobenzyne from 2-chloro-6-fluorophenyllithium displays a pronounced solvent-dependent regioselectivity. 6Li and 13C NMR spectroscopic studies on 2-chloro-6-fluorophenyllithium reveal a single monomeric aryllithium, suggested by DFT computational studies to be a trisolvate. Rate studies indicate that the elimination of LiCl and LiF proceeds via trisolvated and disolvated monomers, respectively. Copyright