606-34-8

Basic information

• Product Name: 2,4,6-TRINITROBENZALDEHYDE
• Synonyms: SALOR-INT L170291-1EA;2,4,6-TRINITROBENZOIC ALDEHIDE;2,4,6-TRINITROBENZALDEHYDE;TNBAL
• CAS NO: 606-34-8
• Molecular Formula: C₇H₃N₃O₇
• Molecular Weight: 241.11
• EINECS: 210-114-4
• Mol File: 606-34-8.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 383.88°C (rough estimate)
• Flash Point: 224.8°C
• Appearance: /
• Density: 1.8304 (rough estimate)
• Vapor Pressure: 2.31E-07mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• CAS DataBase Reference: 2,4,6-TRINITROBENZALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-TRINITROBENZALDEHYDE(606-34-8)
• EPA Substance Registry System: 2,4,6-TRINITROBENZALDEHYDE(606-34-8)

Safety Data

• Hazardous Substances Data: 606-34-8(Hazardous Substances Data)

Usage

General Description

2,4,6-Trinitrobenzaldehyde is an organic compound with the molecular formula C7H3N3O8. It is a light yellow crystalline solid and is highly explosive in nature. The compound is primarily used as a precursor for the synthesis of various explosives, including the popular explosive TNT (trinitrotoluene). 2,4,6-Trinitrobenzaldehyde is also used as a reagent in organic and pharmaceutical synthesis, as well as a chemical intermediate in the production of dyes and pigments. Due to its explosive properties, the compound requires careful handling and storage to avoid potential accidents.

InChI:InChI=1/C7H3N3O7/c11-3-5-6(9(14)15)1-4(8(12)13)2-7(5)10(16)17/h1-3H

Upstream product

• 118-96-7 2,4,6-Trinitrotoluene 
• 138-89-6 p-dimethylaminonitrosobenzene 
• 35113-75-8 1-nitromethyl-2,4,6-trinitrobenzene 
• 7647-01-0 hydrogenchloride 
• 149742-74-5 4-chloro-N-(2,4,6-trinitro-benzyliden)-aniline 
• 26977-78-6 N,N-dimethyl-N'-(2,4,6-trinitrobenzylidene)benzene-1,4-diamine 
• 99-35-4 1,3,5-trinitrobenzene 
• 20062-22-0 2,2’,4,4’,6,6’-hexanitrostilbene 

Downstream Products

• 89899-10-5 2,4,6-trinitroacetophenone 
• 100-52-7 benzaldehyde 
• 99-35-4 1,3,5-trinitrobenzene 
• 63820-48-4 2,4-dinitro-6-nitroso-benzoic acid 
• 149742-74-5 4-chloro-N-(2,4,6-trinitro-benzyliden)-aniline 
• 149742-73-4 N-(2,4,6-trinitro-benzyliden)-p-anisidine 
• 26977-78-6 N,N-dimethyl-N'-(2,4,6-trinitrobenzylidene)benzene-1,4-diamine 
• 29865-45-0 (2,4,6-trinitro-benzyliden)-aniline 

Relevant articles and documents

Synthesis and characterization of new energetic derivatives containing a high nitrogen content moiety and picryl group: A new strategy for incorporating the picryl functionality

New energetic picryl derivatives were synthesized via the reactions of 2,4,6-trinitrobenzaldehyde with high nitrogen content compounds (above 70%) containing the hydrazine group. The resulting compounds 1-3 and 5-7 were characterized well by IR spectroscopy, multinuclear NMR spectroscopy, DSC measurements as well as elemental analysis. Additionally, the structures of compounds 1, 2 and 5 were confirmed by single crystal X-ray diffraction analysis. Except for compound 2, all the remaining products exhibit good thermal stabilities with decomposition onset temperatures above 180 °C. All products possess high heats of formation ranging from 128.62 to 989.52 kJ mol-1. The calculated detonation velocities lie in the range between 7417 and 8271 m s-1. The detonation pressures range between 21.8 and 31.1 GPa.

Preparation method and application of O-nitrobenzaldehyde

The invention relates to a preparation method of o-nitrobenzaldehyde. The preparation method comprises the following steps: reacting o-nitrobenzyl triphenylphosphonium bromide with the required product o-nitrobenzaldehyde as raw materials to generate 1, 2-bis (o-nitrophenyl) ethylene, and oxidizing with ozone to obtain o-nitrobenzaldehyde. The preparation method has the beneficial effects that only a proper amount of alkali is used for catalysis in a condensation reaction, and an intermediate product 1, 2-bis (o-nitrophenyl) ethylene can be efficiently obtained by catalysis of an alkaline water reaction; and gas-liquid reaction is performed by using a micro-channel reactor to finally obtain the required nitrobenzaldehyde. The method has the advantages of less used raw materials, high reaction yield, less by-products and impurities, simple and feasible purification operation, and convenience for industrial production in workshops. Under the condition that the current chemical engineering environment protection and safety situation is severe, the process route can stably supply the important chemical intermediates of the type in an environment-friendly mode with the extremely high atom utilization rate.

Regiospecificity of nucleophilic substitution in 4,6-dinitro-1-phenyl-1H- indazole

The reactions of 4,6-dinitro-1-phenyl-1H-indazole with anionic nucleophiles RS- and N3- lead to the regiospecific replacement of the nitro group at position 4. The reaction with N 2H4·H2O + FeCl3 also results in reduction of only the 4-NO2 group. Based on this fact, a procedure was developed for the preparation of previously unknown 3-unsubstituted 4-X-6-nitro-1-phenyl-1H-indazoles (X is a residue of a nucleophile or NH 2). Comparison of the data on the selective nucleophilic substitution (4-NO2 group) in 3-Z-1-aryl-4,6-dinitro-1H-indazoles shows that in the case of Z = H, the regiospecificity of substitution is determined by the electronic effect of the annelated pyrazole ring.