2631-68-7

Basic information

• Product Name: 1,3,5-trichlorotrinitrobenzene
• Synonyms: 1,3,5-trichlorotrinitrobenzene;Bulbosan;TCTNB
• CAS NO: 2631-68-7
• Molecular Formula: C₆Cl₃N₃O₆
• Molecular Weight: 316.4397
• EINECS: 220-115-1
• Mol File: 2631-68-7.mol
• Article Data: 7

Chemical Properties

• Melting Point: 193 °C
• Boiling Point: 319.45°C (rough estimate)
• Flash Point: 197.9°C
• Appearance: /
• Density: 1.9924 (estimate)
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.677
• CAS DataBase Reference: 1,3,5-trichlorotrinitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-trichlorotrinitrobenzene(2631-68-7)
• EPA Substance Registry System: 1,3,5-trichlorotrinitrobenzene(2631-68-7)

Safety Data

• Hazardous Substances Data: 2631-68-7(Hazardous Substances Data)

Usage

Safety Profile

Poison by inhalation. Whenheated to decomposition it emits toxic vapors of NOx andClí.

InChI:InChI=1/C6Cl3N3O6/c7-1-2(8)4(10(13)14)6(12(17)18)5(3(1)9)11(15)16

Upstream product

• 108-70-3 1,3,5-trichlorobenzene 
• 2678-21-9 1,2,4-trichloro-3,5-dinitrobenzene 
• 6284-83-9 1,3,5-trichloro-2,4-dinitrobenzene 
• 7664-93-9 sulfuric acid 
• 7446-11-9 sulfur trioxide 
• 18708-70-8 2,4,6-trichloronitrobenzene 

Downstream Products

• 4328-17-0 trinitrophloroglucinol 
• 68959-41-1 1,3,5-triethoxy-2,4,6-trinitrobenzene 
• 29306-57-8 1,3,5-trinitro-2,4,6-triazidobenzene 
• 3058-38-6 2,4,6-triamino-1,3,5-trinitrobenzene 
• 132699-65-1 N,N',N''-trimethyl-2,4,6-trinitro-benzene-1,3,5-triyltriamine 
• 117500-09-1 2,4,6-trinitro-N,N',N''-tri-o-tolyl-benzene-1,3,5-triyltriamine 
• 56225-05-9 N,N',N''-Tris-(2-diethylamino-ethyl)-2,4,6-trinitro-benzene-1,3,5-triamine 
• 141510-04-5 1-(3,5-Dichloro-2,4,6-trinitro-phenyl)-piperidine 
• 62088-24-8 1-chloro-3-hydrazino-4,6-dinitrobenzene 
• 56224-53-4 1,3-dihydrazino-4,6-dinitrobenzene 
• 76200-23-2 1-acetylhydrazino-3,5-dichloro-2,4,6-trinitrobenzene 
• 76200-24-3 1,3-diacetylhydrazino-5-chloro-2,4,6-trinitrobenzene 
• 132699-68-4 1,3,5-Tris(tert-butylamino)-2,4,6-trinitrobenzene 
• 114396-18-8 1,3,5-tris(diethylamino)-2,4,6-trinitrobenzene 

Relevant articles and documents

Nitration of 1,3,5-Trichloro-2,4-dinitrobenzene: Nitro-denitration

The title reaction effected in oleum at 150 deg C gives a quantitative yield based on chlorine of a mixture of 1,3,5-trichloro-2,4,6-trinitrobenzene and 1,2,3,5-tetrachloro-4,6-dinitrobenzene; the dependence of product ratios on acidity, effects of additives, and results of isotopic-labelling studies indicate that the latter product is formed via reversible ipso-attack of nitronium ion at a nitro substituted position followed by nucleophilic capture to give a diene which gives, possibly after oxydation, chlorine in an electrophilic form for reaction with starting material.

A hexaazatriphenylene-based organogel that responds to silver(I) with high selectivity under aqueous condition

A hexaazatriphenylene (HAT)-based gelator was developed. It exhibits excellent gelation ability. The resulting organogel shows very high selectivity toward Ag+ ion under aqueous condition in the form of gel-sol transformation. The mechanism of such transformation was also investigated through UV-vis spectroscopy and powder X-ray diffraction.

COMPLEX COMPRISING A RARE-EARTH METAL ION AND A COMPLEXING MOIETY

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Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene from 3,5-dichloranisole

Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) from 3,5-dichloroanisole. Nitration of 3,5-dichloroanisole under relatively mild conditions gave 3,5-dichloro-2,4,6-trinitroanisole in high yield and purity. Ammonolysis of this latter compound gave the desired TATB. Another route to TATB was through the treatment of the 3,5-dichloro-2,4,6-trinitroanisole with thionyl chloride and dimethylformamide to yield 1,3,5-trichloro-2,4,6-trinitrobenzene. Ammonolysis of this product produced TATB.