C6H3N3O6

C6H3N3O6 is the molecular formula for the class of compounds known as trinitrobenzenes, nitroaromatic compounds in which three nitro groups (NO2) are attached to a benzene ring. The formula results from replacing three of the six ring hydrogens with nitro groups, giving C6H3N3O6. There are several possible structural isomers depending on the positions of the nitro substituents.

Common isomers include 1,2,3-trinitrobenzene, 1,2,4-trinitrobenzene, and 1,3,5-trinitrobenzene; the latter is the most symmetric and is often referred to as sym-trinitrobenzene. All share the same molecular formula but differ in spatial arrangement, which influences physical properties and reactivity.

Trinitrobenzene typically appears as crystalline solids that are yellow to orange in color and are poorly soluble in water. It is sensitive to heat, shock, and friction to varying degrees, reflecting its energetic nature. The compound can be produced by sequential nitration of benzene or by nitration of nitrobenzene and onward to higher nitration levels, using mixtures of concentrated nitric and sulfuric acids.

Applications and safety: trinitrobenzene and its isomers have been investigated as intermediates in the manufacture of energetic materials and dyes, and have historical relevance in the broader family of nitroaromatics. Due to their energetic properties, they are handled with strict safety precautions to avoid unintended detonation. They are typically stored away from heat, impact sources, and incompatible materials.