163685-01-6

Basic information

• Product Name: 2-{3-chloro-4-nitrophenoxy}-4,6-dimethoxy-1,3,5-triazine
• Synonyms: 2-{3-chloro-4-nitrophenoxy}-4,6-dimethoxy-1,3,5-triazine
• CAS NO: 163685-01-6
• Molecular Formula: C₁₁H₉ClN₄O₅
• Molecular Weight: 312.66596
• Mol File: 163685-01-6.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-{3-chloro-4-nitrophenoxy}-4,6-dimethoxy-1,3,5-triazine(CAS DataBase Reference)
• NIST Chemistry Reference: 2-{3-chloro-4-nitrophenoxy}-4,6-dimethoxy-1,3,5-triazine(163685-01-6)
• EPA Substance Registry System: 2-{3-chloro-4-nitrophenoxy}-4,6-dimethoxy-1,3,5-triazine(163685-01-6)

Safety Data

• Hazardous Substances Data: 163685-01-6(Hazardous Substances Data)

Upstream product

• 3140-73-6 2-chloro-4,6-dimethoxy-1 ,3,5-triazine 
• 491-11-2 3-chloro-4-nitrophenol 

Downstream Products

• 491-11-2 3-chloro-4-nitrophenol 
• 241483-00-1 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-morpholine 
• 21002-15-3 2-phenyloxy-4,6-dimethoxy-1,3,5-triazine 
• 1075-59-8 2-hydroxy-4,6-dimethoxy-1,3,5-triazine 
• 67-56-1 methanol 

Relevant articles and documents

Stepwise versus concerted mechanisms at trigonal carbon: Transfer of the 1,3,5-triazinyl group between aryl oxide ions in aqueous solution

Displacements of 4-nitrophenolate ions from 2-(4-nitrophenoxy)-4,6-dimethoxy-1,3,5-triazine by substituted phenolate ions in aqueous solution obey a linear Br?nsted-type equation, log kArO = 0.951pKa - 10.98, over a range of pKa values greater than and less than the pKa of the leaving phenol. The absence of curvature is consistent with a mechanism involving a single transition state. This conclusion is supported by the existence of cross-correlation effects (Pxy = 0.0561) on βnuc of the pKa of the leaving group and on β1g of the pKa of the nucleophile on β1g. The value of βeq, the Br?nsted selectivity for transfer of the triazinyl function between phenolate ions, is calculated from the Br?nsted data to be 1.48. The identity reaction of 3,4-dinitrophenolate ion with the (3,4-dinitrophenoxy)triazine is calculated to have a Kreevoy-Albery τ value of 1.04, indicating that in this case changes in effective charge on entering and leaving ligands are approximately balanced.