129-66-8

Basic information

• Product Name: 2,4,6-TRINITROBENZOIC ACID
• Synonyms: 2,4,6-TRINITROBENZOIC ACID;LABOTEST-BB LT00044466;sym-Trinitrobenzoic acid;2,4,6-trinitro-benzoicaci;Benzoic acid, trinitro-;Benzoic acid, trinitro- (dry);Benzoic acid, trinitro- (wet);benzoicacid,trinitro-(dry)
• CAS NO: 129-66-8
• Molecular Formula: C₇H₃N₃O₈
• Molecular Weight: 257.11
• EINECS: 204-958-2
• Product Categories: Nitro
• Mol File: 129-66-8.mol
• Article Data: 11

Chemical Properties

• Melting Point: 232℃
• Boiling Point: 436℃
• Flash Point: 194℃
• Appearance: Light yellow/crystals
• Density: 1.870
• Vapor Pressure: 2.3E-08mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Solubility: Solubility Solubler in water, ethanol, methanol, ether, acetone
• PKA: 0.42, 0.65(at 25℃)
• Water Solubility: 20.12g/L(23.5 oC)
• CAS DataBase Reference: 2,4,6-TRINITROBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-TRINITROBENZOIC ACID(129-66-8)
• EPA Substance Registry System: 2,4,6-TRINITROBENZOIC ACID(129-66-8)

Safety Data

• RIDADR: 0215
• HazardClass: 1.1D
• Hazardous Substances Data: 129-66-8(Hazardous Substances Data)

Usage

Chemical Properties

Orthorhombic crystals. Sublimes with decomposition, forming carbon dioxide and trinitrobenzene; slightly soluble in water and benzene; soluble in alcohol, ether, and acetone.

Uses

Different sources of media describe the Uses of 129-66-8 differently. You can refer to the following data:
1. Explosive compositions.
2. 2,4,6-Trinitrobenzoic Acid is used in preparation of Trimethylbenzoyl Chloride.

Hazard

Dangerous, explodes by heat or shock.

Safety Profile

An explosive. A hazard in preparation. Reacts with heavy metals to form heator impact-sensitive explosive salts. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS and EXPLOSIVES , HIGH.

Purification Methods

Crystallise the acid from distilled H2O. Dry in a vacuum desiccator. The amide has m 264o (from EtOH). [Beilstein 9 H 417, 9 I

InChI:InChI=1/C7H3N3O8/c11-7(12)6-4(9(15)16)1-3(8(13)14)2-5(6)10(17)18/h1-2H,(H,11,12)

Upstream product

• 7500-86-9 2,4,6-trinitrobenzoyl chloride 
• 51226-42-7 2,4,6-Trinitrobenzamide 
• 7697-37-2 nitric acid 
• 7664-93-9 sulfuric acid 
• 61599-68-6 1,3,5-trinitro-2-[(E)-2-phenylvinyl]benzene 
• 7732-18-5 water 
• 118-96-7 2,4,6-Trinitrotoluene 

Downstream Products

• 2296-96-0 2,4,6-trinitro-benzoic acid ethyl ester 
• 15012-38-1 methyl 2,4,6-trinitrobenzoate 
• 99-35-4 1,3,5-trinitrobenzene 
• 114168-48-8 4-amino-2,6-dinitrobenzoic acid 
• 79817-84-8 2,4,6-triaminobenzoic acid 
• 7500-86-9 2,4,6-trinitrobenzoyl chloride 
• 108-73-6 3,5-dihydroxyphenol 
• 57716-04-8 4-acetylamino-2,6-dinitro-benzoic acid 
• 321372-44-5 N-(4'-chlorodifluoromethoxyphenyl)-2-benzylthio-4,6-dinitrobenzamide 

Related news

An unusual reduction route of 2,4,6-TRINITROBENZOIC ACID (cas 129-66-8) under conditions of aqueous-phase hydrogenation over Pd/Sibunit catalyst09/29/2019

For the first time it was established that the catalytic hydrogenation of 2,4,6-trinitrobenzoic acid to 1,3,5-triaminobenzene can proceed via the formation of aromatic hydroxyamines and cyclohexane-1,3,5-trione trioxime. As a result of aqueous-phase hydrogenation of sodium salt of 2,4,6-trinitro...detailed

Transformation pathways of 2,4,6-TRINITROBENZOIC ACID (cas 129-66-8) in the aqueous-phase hydrogenation over Pd/C catalyst09/27/2019

Results of the catalytic hydrogenation of 2,4,6-trinitrobenzoic acid (TNBA) in the presence of 1% Pd/C catalyst with analysis of the reaction products at the steps corresponding to the consumption of 1, 3, 5, 6, 8 and 9mols of hydrogen per mol of TNBA are presented. Numerous reaction intermediat...detailed

Relevant articles and documents

5,5′-Bis(2,4,6-trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole) (TKX-55): Thermally Stable Explosive with Outstanding Properties

The novel, thermally stable explosive 5,5′-bis(2,4,6-trinitro-phenyl)-2,2′-bi(1,3,4-oxadiazole) (TKX-55) is reported. This compound can be prepared by means of a facile synthetic procedure and shows outstanding properties (detonation velocity, detonation pressure, sensitivity toward mechanical stimuli, and temperature of decomposition). TKX-55 was isolated and characterized by means of mass spectrometry, multinuclear (1H, 13C) NMR spectroscopy, and vibrational spectroscopy (IR and Raman). The structure in the crystalline state was determined by low-temperature single-crystal X-ray diffraction. From the calculated standard molar enthalpy of formation (CBS-4M) and the densities, the Chapman-Jouguet detonation properties were predicted by using the EXPLO5 V6.01 thermochemical computer code. The sensitivity of TKX-55 towards impact, friction, and electrostatic discharge was determined. The shock reactivity (explosiveness) of TKX-55 was measured by applying the small-scale shock reactivity test.

Effect of medium acidity on the efficiency of oxidation of 2,4,6-trinitrotoluene to 2,4,6-trinitrobenzoic acid

An effect of boric acid additives on oxidation of 2,4,6-trinitrotoluene (TNT) to 2,4,6-trinitrobenzoic acid (TNBA) with chromic anhydride in concentrated (96—100%) H2SO4 has been studied. In the presence of tetrahydrosulfatoboric acid HB(HSO4)4 formed in situ (up to 5 mol.%) or added as a preliminary prepared solution (up to 1 mol. %), TNT is selectively oxidized to TNBA in the yields up to 95—99%. The mechanism including formation of TNT dication as a key step of its oxidation at the methyl group has been suggested.

Synthesis method of high-purity phloroglucinol compound

The invention discloses a one-step chemical catalytic synthesis method of high-purity phloroglucinol by taking 3,5-dichlorophenol as a starting material and taking strong base and a catalyst as auxiliary materials. Through the method, the phloroglucinol compound with high molar yield, high purity and low cost can be effectively synthesized.