95346-55-7

Basic information

• Product Name: C₁₇H₁₄N₃O₈^(1-)
• CAS NO: 95346-55-7
• Molecular Weight: 388.313
• Mol File: 95346-55-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₇H₁₄N₃O₈^(1-)(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₇H₁₄N₃O₈^(1-)(95346-55-7)
• EPA Substance Registry System: C₁₇H₁₄N₃O₈^(1-)(95346-55-7)

Safety Data

• Hazardous Substances Data: 95346-55-7(Hazardous Substances Data)

Upstream product

• 99-35-4 1,3,5-trinitrobenzene 
• 4023-79-4 1-(4-methylphenyl)butan-1,3-dione 

Relevant articles and documents

Mechanism and Linear Energy Relationships in the Kinetics of Formation of Bicyclononane Derivatives from 1,3,5-Trinitrobenzene, Benzoylacetones, and Base

The kinetics and mechanism of cyclization of the anionic ? complex obtained from the reaction of sym-tri-nitrobenzene (TNB) and benzoylacetone (BA) in the presence of triethylamine (NEt3) have been studied in Me2SO-H2O (80percent v/v).The order of the reaction has been found to be zero in TNB, unity in BA, fractional in NEt3, and negative and nonintegral in H+NEt3.When the solvent is changed from Me2SO-H2O (80percent v/v) to CH3CN the order with respect to TNB is zero, BA is unity, NEt3 is unity, and H+NEt3 is negative and nonintegral.The fractional order with respect to NEt3 in Me2SO-H2O (80percent v/v) was found to be due to the involvement of Me2SO in proton abstraction and hence in cyclization.DMF also brought about the cyclization in a similar manner.The plot of rate constants for the formation of bicyclic complexes from substituted benzoylacetones and TNB vs. ?+/? concaved downward indicating a change in the rate determining step.