18771-86-3

Basic information

• Product Name: 5-nitro-2,1,3-benzoxadiazole 1-oxide
• Synonyms: 2,1,3-benzoxadiazole, 5-nitro-, 1-oxide; 5-Nitro-2,1,3-benzoxadiazole 1-oxide
• CAS NO: 18771-86-3
• Molecular Formula: C₆H₃N₃O₄
• Molecular Weight: 181.1057
• Mol File: 18771-86-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 360.2°C at 760 mmHg
• Flash Point: 171.6°C
• Density: 1.87g/cm³
• Vapor Pressure: 4.69E-05mmHg at 25°C
• Refractive Index: 1.764
• CAS DataBase Reference: 5-nitro-2,1,3-benzoxadiazole 1-oxide(CAS DataBase Reference)
• NIST Chemistry Reference: 5-nitro-2,1,3-benzoxadiazole 1-oxide(18771-86-3)
• EPA Substance Registry System: 5-nitro-2,1,3-benzoxadiazole 1-oxide(18771-86-3)

Safety Data

• Hazardous Substances Data: 18771-86-3(Hazardous Substances Data)

Upstream product

• 51348-06-2 N-(2,4-dinitrophenyl)hydroxylamine 
• 98555-19-2 N-acetoxy-2,4-dinitrobenzenamine 

Downstream Products

• 18772-11-7 5-nitro-2,1,3-benzoxadiazole 
• 131221-61-9 4-(p-tolylsulfonyl)methyl-5-nitrobenzofuroxan 
• 135123-04-5 4-<(4-Methoxyphenyl)amino>-5-nitrobenzofurazan 
• 99-56-9 4-Nitrophenylene-1,2-diamine 
• 19155-72-7 4-Methoxy-5-chlor-benzofurazan 

Relevant articles and documents

Reaction of N-Acyloxy-2-nitrobenzenamines.I. Thermolysis in Benzene or Bromobenzene

N-Acyloxy-2-nitro- and N-acyloxy-2,4-dinitro-benzenamines have been pyrolysed at 140 deg C in benzene or bromobenzene solution.Homolysis ( to form RCO2-radical and ArNH-radical) is ruled out since virtually all the carboxylate is isolated as carboxylic acid.This acid might arise via a concerted elimination process ( the other product being a benzofurazan 1-oxide), or via heterolysis to ArNH01+, RCO21- with subsequent transfer of proton, and cyclization of the singlet 2-nitrophenylnitrene.These simple reactions compete with bimolecular reactions of products with substrate, in which the corresponding amine, azoxy compound and acid anhydride are generated.Attempts to synthesize N-tosyloxy derivatives of nitrobenzenamines gave only thermal decomposition products.N-Trifluoroacetoxy-2,4-dinitrobenzenamine was isolated as a crude product which detonated violently.