21046-05-9

Basic information

• Product Name: N-(2,4,6-trinitrophenyl)carbazol-9-amine
• CAS NO: 21046-05-9
• Molecular Formula: C₁₈H₁₁N₅O₆
• Molecular Weight: 393.315
• Mol File: 21046-05-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 588.8°Cat760mmHg
• Flash Point: 309.9°C
• Density: 1.64g/cm³
• CAS DataBase Reference: N-(2,4,6-trinitrophenyl)carbazol-9-amine(CAS DataBase Reference)
• NIST Chemistry Reference: N-(2,4,6-trinitrophenyl)carbazol-9-amine(21046-05-9)
• EPA Substance Registry System: N-(2,4,6-trinitrophenyl)carbazol-9-amine(21046-05-9)

Safety Data

• Hazardous Substances Data: 21046-05-9(Hazardous Substances Data)

Upstream product

• 17223-85-7 9H-carbazol-9-amine 
• 88-88-0 2,4,6-trinitrochlorobenzene 
• 86-74-8 9H-carbazole 
• 2788-23-0 9-nitroso-9H-carbazole 

Downstream Products

• 101579-21-9 9-amino-N-picryl-3-bromocarbazole 
• 3685-38-9 9-amino-N-picrylcarbazyl anion 
• 3685-38-9 N-picryl-9-aminocarbazyl radical 

Relevant articles and documents

Synthesis and spectral comparison of electronic and molecular properties of some hydrazines and hydrazyl free radicals

Continuing our work on hydrazyl free radicals, five triphenylhydrazine derivatives, one a new compound, were synthesized to compare the electronic and molecular properties of these compounds, study the influence of substituents on the phenyl rings, and compare their properties with the parent hydrazines and corresponding anions. These hydrazines demonstrate both acid-base and redox properties. The hydrazine proton can be removed by base, yielding the corresponding anion and both the hydrazines and their anions can be oxidized to the corresponding hydrazyl free radicals. ESR spectra confirmed their formation and X-ray crystallography of one compound confirmed their structures.

Crystal and molecular structure of 9-(2,4,6-trinitroanilino)-carbazole, C18H11N5O6

The crystal structure of 9-(2,4,6-trinitroanilino)-carbazole, C18H11N5O6, has been determined by X-ray diffraction.Crystals are monoclinic, space group P21/c, a = 14.686(11), b = 24.601(12), c = 10.047(5) Angstroem, β = 107.76(5) deg at 292 K, with Z = 8.The two nitrogen atoms in the central fragment have a staggered conformation with an N-N distance of 1.381(4) Angstroem, which is considerably shorter than N-N distances in related N-picrylhydrazine molecules.The picryl moiety has a geometry similar to that of related N-picrylhydrazine molecules.The title compound contains an N-H...O intramolecular bond to one of the ortho nitro gro ups on the picryl ring.The carbazole plane of one molecule and the picryl plane of a neighboring molecule overlap to form an infinite linear chain of the form ...DhA:DhA... where D represents the carbazole donor, h the linear chain linkage within the molecule, and A represents the picryl acceptor of one molecule.The two interplanar distances between D of one molecule and A of an adjacent molecule are 3.28(13) and 3.34(13) Angstroem, indicating a strong ?-molecular interaction.