2,4,6-trinitrobenzoic acid

C7H3N3O8

CAS129-66-8

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Identification

CAS Number
129-66-8
EC Number
204-958-2
UN Number
0215
PubChem CID
8518

Physical-chemical properties

Molecular Formula
C7H3N3O8
Molar Mass
257.11 g/mol
IUPAC Name
2,4,6-trinitrobenzoic acid

Chemical Identifiers

InChI
InChI=1S/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)
InChI Key
KAQBNBSMMVTKRN-UHFFFAOYSA-N

Overview

2,4,6-trinitrobenzoic acid (CAS 129-66-8) is a highly nitrated aromatic carboxylic acid with explosive properties and strong oxidizing characteristics. This polynitrated compound belongs to the family of trinitroaromatic chemicals, featuring three nitro groups (-NO2) attached to a benzoic acid backbone. With its molecular formula C7H3N3O8 and molecular weight of 257.11 g/mol, 2,4,6-trinitrobenzoic acid exhibits significant chemical reactivity due to the electron-withdrawing nature of the multiple nitro substituents. The compound's structure makes it both an explosive material and a valuable chemical intermediate for various industrial applications. The presence of three nitro groups in positions 2, 4, and 6 on the benzene ring creates a highly energetic molecule with considerable thermal sensitivity. This structural arrangement is similar to other trinitroaromatic compounds like 2-methyl-1,3,5-trinitrobenzene, which shares comparable explosive characteristics. The carboxylic acid functionality provides additional reactivity, enabling various chemical transformations and derivatizations. From a safety perspective, 2,4,6-trinitrobenzoic acid is classified under ADR Class 1, indicating its explosive nature. Proper handling requires specialized storage conditions, appropriate personal protective equipment, and adherence to strict safety protocols to prevent accidental detonation or thermal decomposition. Industrial applications include its use as an intermediate in the synthesis of specialized explosives, as a chemical reagent in analytical chemistry, and in research applications for developing new energetic materials. The compound also serves as a precursor for manufacturing various nitroaromatic derivatives used in pharmaceutical and agrochemical industries. OYSI provides 2,4,6-trinitrobenzoic acid to qualified industrial customers across Europe, ensuring compliance with all relevant safety regulations and transportation requirements for explosive materials.

Safety & Classification

No Hazard Classification

This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.

Transport (ADR)

UN Number0215
ADR Class1
Packing Group
Tunnel CodeB1000C
Proper Shipping NameTrinitrobenzoesäure, trocken, nicht pulverförmig
Marine PollutantNo

Frequently Asked Questions

What is 2,4,6-trinitrobenzoic acid?

2,4,6-trinitrobenzoic acid is an organic compound with the molecular formula C7H3N3O8 and CAS number 129-66-8. This aromatic carboxylic acid features three nitro groups (-NO2) attached to positions 2, 4, and 6 of the benzene ring, along with a carboxyl group (-COOH). With a molecular weight of 257.11 g/mol, it belongs to the family of nitrobenzoic acids and exhibits explosive properties due to its multiple nitro substituents.

What are the physicochemical properties of 2,4,6-trinitrobenzoic acid?

2,4,6-trinitrobenzoic acid is typically a pale yellow to light brown crystalline solid at room temperature. The compound has limited solubility in water but dissolves better in organic solvents such as acetone and ethanol. It exhibits a characteristic aromatic odor and has a relatively high melting point due to intermolecular hydrogen bonding. The presence of three electron-withdrawing nitro groups significantly affects its chemical reactivity and stability properties.

What is 2,4,6-trinitrobenzoic acid used for?

2,4,6-trinitrobenzoic acid is primarily used as an intermediate in organic synthesis and pharmaceutical manufacturing. It serves as a reagent in analytical chemistry for various detection methods and as a starting material for producing other specialized chemical compounds. The compound finds applications in research laboratories for academic studies and in the production of certain dyes and pigments. Its explosive nature also makes it relevant in specialized military and mining applications.

How to handle 2,4,6-trinitrobenzoic acid safely?

Safe handling of 2,4,6-trinitrobenzoic acid requires appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to avoid inhalation of dust or vapors. Avoid friction, impact, or heat sources as the compound has explosive properties. Use non-sparking tools and ensure proper grounding of equipment. Handle small quantities and avoid rapid temperature changes during processing.

How to store 2,4,6-trinitrobenzoic acid correctly?

2,4,6-trinitrobenzoic acid should be stored in a cool, dry, well-ventilated area away from heat sources, direct sunlight, and ignition sources. Use original containers or appropriate secondary containment made of compatible materials. Keep away from strong bases, reducing agents, and combustible materials to prevent dangerous reactions. Storage areas should be equipped with appropriate fire suppression systems and the compound should be kept separate from incompatible chemicals according to segregation tables.

What to do in case of contact with 2,4,6-trinitrobenzoic acid?

In case of skin contact with 2,4,6-trinitrobenzoic acid, immediately remove contaminated clothing and flush the affected area with plenty of water for at least 15 minutes. For eye contact, rinse thoroughly with clean water and seek immediate medical attention. If inhaled, move the person to fresh air and monitor breathing. In case of ingestion, do not induce vomiting and seek immediate medical help. Always consult a physician and provide the safety data sheet for proper medical treatment.

How to dispose of 2,4,6-trinitrobenzoic acid appropriately?

Disposal of 2,4,6-trinitrobenzoic acid must comply with local and national waste regulations due to its explosive nature. Contact licensed hazardous waste disposal companies specialized in handling explosive materials. Never dispose of the compound in regular waste streams or sewage systems. Small quantities may require neutralization or dilution procedures before disposal, but this should only be performed by qualified personnel. Always check with local environmental authorities for specific disposal requirements and approved facilities.

How to transport 2,4,6-trinitrobenzoic acid?

2,4,6-trinitrobenzoic acid falls under ADR Class 1 (explosives) for transportation purposes, requiring specialized handling and documentation. Transport must comply with dangerous goods regulations including proper packaging, labeling, and vehicle requirements. Only authorized carriers with explosive transport permits can handle shipments. Packages must be properly marked with UN numbers and hazard labels. Drivers require special training and vehicles need appropriate safety equipment and routing restrictions may apply.

Is 2,4,6-trinitrobenzoic acid subject to specific regulations?

2,4,6-trinitrobenzoic acid is subject to various regulatory frameworks including REACH registration requirements in Europe and CLP classification obligations. Due to its explosive properties, it may fall under explosives regulations and require special permits for handling and storage. The compound is not currently listed as an SVHC (Substance of Very High Concern), but users must comply with workplace safety regulations and environmental protection laws in their respective jurisdictions.

Where to buy 2,4,6-trinitrobenzoic acid in Europe?

2,4,6-trinitrobenzoic acid is available through OYSI, a European distributor of specialty chemicals serving industrial and research customers across Europe. OYSI provides technical support and regulatory compliance assistance for this specialized compound. Due to its explosive classification, purchases may require end-user certificates and compliance with local regulations. Contact OYSI directly for availability, specifications, and delivery options to your specific location within Europe, ensuring all regulatory requirements are met.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.