2,4,6-trinitrobenzene-1,3-diol

C6H3N3O8

CAS82-71-3
GHS01 Gefahrensymbol: Explosionsgefährlich – Explodierende Bombe
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
Danger

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Identification

CAS Number
82-71-3
EC Number
201-436-6
UN Number
0219
Index Number
609-018-00-9
PubChem CID
6721

Physical-chemical properties

Molecular Formula
C6H3N3O8
Molar Mass
245.10 g/mol
IUPAC Name
2,4,6-trinitrobenzene-1,3-diol

Chemical Identifiers

InChI
InChI=1S/C6H3N3O8/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h1,10-11H
InChI Key
IXHMHWIBCIYOAZ-UHFFFAOYSA-N

Overview

2,4,6-trinitrobenzene-1,3-diol (CAS 82-71-3) is a highly explosive nitroaromatic compound with significant industrial applications requiring specialized handling protocols. This polynitrated phenolic compound, also known by its IUPAC designation, represents a critical chemical intermediate in specialized industrial processes. With a molecular formula of C6H3N3O8 and molecular weight of 245.1 g/mol, this substance exhibits the characteristic properties of energetic materials due to its three nitro groups positioned on the benzene ring alongside two hydroxyl substituents. The compound's structure places it within the same chemical family as other nitroaromatic explosives, sharing similarities with substances like 3-methyl-2,4,6-trinitrophenol in terms of explosive characteristics and handling requirements. Safety considerations are paramount when working with 2,4,6-trinitrobenzene-1,3-diol, as it carries an Explosive 1.1 classification under GHS regulations, indicating it presents a mass explosion hazard. The substance also exhibits acute toxicity properties across multiple exposure routes, requiring comprehensive risk management protocols. Transport falls under ADR Class 1 dangerous goods regulations, necessitating specialized logistics and storage facilities designed for explosive materials. Primary industrial applications include its use as an explosive component in mining operations, as a chemical intermediate in the synthesis of other energetic compounds, and in specialized military applications where controlled explosive properties are required. The compound's unique combination of hydroxyl and nitro functionalities also makes it valuable in certain organic synthesis pathways where controlled reactivity is essential. OYSI provides access to 2,4,6-trinitrobenzene-1,3-diol through our specialized dangerous goods distribution network, ensuring full regulatory compliance and professional handling throughout the supply chain.

Safety & Classification

Danger
Classification:

Expl. 1.1; Acute Tox. 4 *; Acute Tox. 4 *; Acute Tox. 4 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H201

Explosive; mass explosion hazard.

H332

Harmful if inhaled.

H312

Harmful in contact with skin.

H302

Harmful if swallowed.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Inhalation

Harmful

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Harmful

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number0219
ADR Class1
Packing Group
Tunnel CodeB1000C
Proper Shipping NameTrinitroresorcinol, trocken, nicht pulverförmig
Marine PollutantNo

Frequently Asked Questions

What is 2,4,6-trinitrobenzene-1,3-diol?

2,4,6-trinitrobenzene-1,3-diol is an explosive organic compound with the molecular formula C6H3N3O8 and CAS number 82-71-3. This chemical substance has a molecular weight of 245.1 g/mol and belongs to the nitroaromatic compounds family. It is classified as a Class 1.1 explosive material, making it highly dangerous and subject to strict regulatory controls. The compound contains three nitro groups attached to a benzene ring with two hydroxyl groups.

What are the physicochemical properties of 2,4,6-trinitrobenzene-1,3-diol?

2,4,6-trinitrobenzene-1,3-diol typically appears as a crystalline solid at room temperature. As a nitroaromatic compound, it exhibits high density and stability under normal conditions but becomes extremely sensitive to shock, friction, and heat. The presence of multiple nitro groups makes it highly explosive when subjected to appropriate stimuli. Its molecular structure contains both electron-withdrawing nitro groups and electron-donating hydroxyl groups, creating a complex chemical behavior pattern.

What is 2,4,6-trinitrobenzene-1,3-diol used for?

2,4,6-trinitrobenzene-1,3-diol is primarily used in specialized explosive applications and military ordnance manufacturing. Due to its Class 1.1 explosive classification, its applications are strictly controlled and limited to authorized industrial users with appropriate licenses. The compound may also serve as an intermediate in the synthesis of other specialized chemicals or as a research material in academic and industrial laboratories studying explosive chemistry and detonation physics.

How to handle 2,4,6-trinitrobenzene-1,3-diol safely?

2,4,6-trinitrobenzene-1,3-diol requires extreme caution during handling due to its explosive nature. Personnel must wear appropriate personal protective equipment including anti-static clothing, safety goggles, and protective gloves. Handling should occur in controlled environments away from heat sources, friction, and impact. Only trained and authorized personnel should manipulate this substance. All equipment must be grounded to prevent static electricity buildup, and handling quantities should be minimized to reduce risk exposure.

How to store 2,4,6-trinitrobenzene-1,3-diol correctly?

2,4,6-trinitrobenzene-1,3-diol must be stored in specialized explosive storage facilities that comply with local explosive storage regulations. Storage areas should maintain stable, cool temperatures away from heat sources, direct sunlight, and incompatible materials. The storage facility must be constructed to appropriate explosive storage standards with proper ventilation, security measures, and emergency protocols. Access should be restricted to authorized personnel only, and inventory must be carefully tracked and documented.

What to do in case of contact with 2,4,6-trinitrobenzene-1,3-diol?

Immediate action is required for any contact with 2,4,6-trinitrobenzene-1,3-diol due to its acute toxicity classification. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move the person to fresh air immediately. Seek immediate medical attention for all exposure routes and inform medical personnel about the specific chemical involved and its toxic properties.

How to dispose of 2,4,6-trinitrobenzene-1,3-diol appropriately?

2,4,6-trinitrobenzene-1,3-diol disposal requires specialized explosive waste disposal procedures through licensed hazardous waste contractors. The material cannot be disposed of through normal waste streams due to its explosive classification. Disposal must comply with local explosive waste regulations and typically involves controlled detonation or specialized chemical neutralization processes. All disposal activities must be documented and performed by qualified explosive disposal experts with appropriate permits and safety protocols.

How to transport 2,4,6-trinitrobenzene-1,3-diol?

2,4,6-trinitrobenzene-1,3-diol is classified as Class 1 dangerous goods under ADR regulations, requiring specialized explosive transport procedures. Transportation must be conducted by licensed explosive transport companies using approved packaging and vehicles. Proper explosive shipping documentation, placarding, and routing restrictions apply. Drivers must hold valid explosive transport certifications, and vehicles must meet specific safety requirements including proper grounding, emergency equipment, and route planning to avoid populated areas and sensitive infrastructure.

Is 2,4,6-trinitrobenzene-1,3-diol subject to special regulations?

2,4,6-trinitrobenzene-1,3-diol is subject to extensive regulatory oversight due to its explosive classification. It falls under explosive licensing requirements in most jurisdictions, requiring special permits for manufacture, storage, transport, and use. The substance is regulated under CLP classification as Expl. 1.1 and Acute Tox. 4, requiring appropriate hazard labeling with GHS01 and GHS07 pictograms. REACH registration may apply for commercial use, and export controls may restrict international trade.

Where to buy 2,4,6-trinitrobenzene-1,3-diol in Europe?

2,4,6-trinitrobenzene-1,3-diol can be sourced through OYSI, a specialized European distributor of technical chemicals with expertise in hazardous materials. Due to the explosive nature of this substance, purchases require proper licensing, permits, and compliance verification before any transaction. OYSI provides technical support and regulatory guidance to ensure compliant procurement. Customers must demonstrate legitimate use, appropriate storage facilities, and valid explosive handling licenses before product availability can be confirmed.

Data Sources

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