84802-78-8

Basic information

• Product Name: 4-(5,7-dinitro-3-oxido-1,4-dihydro-2,1,3-benzoxadiazol-4-yl)aniline
• CAS NO: 84802-78-8
• Molecular Formula: C₁₂H₉N₅O₆
• Molecular Weight: 319.2298
• Mol File: 84802-78-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 488.3°C at 760 mmHg
• Flash Point: 249.1°C
• Density: 1.7g/cm³
• Vapor Pressure: 1.1E-09mmHg at 25°C
• Refractive Index: 1.747
• CAS DataBase Reference: 4-(5,7-dinitro-3-oxido-1,4-dihydro-2,1,3-benzoxadiazol-4-yl)aniline(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(5,7-dinitro-3-oxido-1,4-dihydro-2,1,3-benzoxadiazol-4-yl)aniline(84802-78-8)
• EPA Substance Registry System: 4-(5,7-dinitro-3-oxido-1,4-dihydro-2,1,3-benzoxadiazol-4-yl)aniline(84802-78-8)

Safety Data

• Hazardous Substances Data: 84802-78-8(Hazardous Substances Data)

Upstream product

• 5128-28-9 4,6-dinitrobenzofuroxan 
• 62-53-3 aniline 

Downstream Products

• 84802-80-2 C₁₈H₉N₉O₁₂^(2-) 

Relevant articles and documents

Electrophilic aromatic substitution in substituted anilines; kinetics of the reaction with 4,6-dinitrobenzofuroxan

Kinetic results are reported for reaction of aniline and six of its N- and ring-substituted derivatives with 4,6-dinitrobenzofuroxan (DNBF) in water - dimethyl sulfoxide mixtures. In acidic solution σ-adducts, the result of electrophilic substitution in the anilines, are formed with bonding between a ring-carbon atom of the anilines and the 7-position of DNBF. Reaction normally occurs at the 4-position of the aniline unless this carries a substituent, when reaction occurs at the 2-position. A value of 2.0 for k(H)/k(D), the kinetic isotope effect, indicates that in the reaction with aniline bond formation is largely rate determining in the substitution pathway. The results allow estimates to be made for the pK(a) values relating to carbon protonation of the anilines.

Ambident Aniline Reactivity in Meisenheimer Complex Formation

-