1,3,5-trinitrobenzene

C6H3N3O6

CAS99-35-4
GHS01 Gefahrensymbol: Explosionsgefährlich – Explodierende Bombe
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
99-35-4
EC Number
202-752-7
UN Number
0214
Index Number
609-005-00-8
PubChem CID
7434

Physical-chemical properties

Molecular Formula
C6H3N3O6
Molar Mass
213.10 g/mol
IUPAC Name
1,3,5-trinitrobenzene

Chemical Identifiers

InChI
InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
InChI Key
UATJOMSPNYCXIX-UHFFFAOYSA-N

Overview

1,3,5-trinitrobenzene (CAS 99-35-4) is a highly explosive nitroaromatic compound with three symmetrically positioned nitro groups on a benzene ring. This symmetric trinitro compound represents one of the most potent explosive materials in industrial chemistry, characterized by its exceptional sensitivity to heat, shock, and friction. The molecular structure features three nitro groups (-NO2) arranged in a 1,3,5 pattern around the benzene core, creating a highly energetic system with significant explosive potential. With a molecular weight of 213.1 g/mol and formula C6H3N3O6, this substance exhibits extreme hazard classifications including explosive class 1.1 under ADR transport regulations. The compound's safety profile demands exceptional handling precautions due to its classification as acutely toxic (categories 1 and 2) and its explosive nature. GHS pictograms GHS01, GHS06, GHS08, and GHS09 reflect its multiple hazard categories including explosion risk, acute toxicity, health hazards, and environmental dangers. The substance poses significant risks to aquatic environments and may cause organ damage through repeated exposure. Storage and transportation require specialized explosive-rated facilities and adherence to strict regulatory protocols. Industrial applications primarily focus on specialized explosive formulations, research applications in energetic materials development, and as an intermediate in the synthesis of other nitroaromatic compounds. The compound shares chemical similarities with related substances like 2-methyl-1,3,5-trinitrobenzene, which also finds use in specialized explosive applications. Due to its extreme hazard profile, usage is typically restricted to qualified facilities with appropriate safety infrastructure and trained personnel. OYSI provides 1,3,5-trinitrobenzene to qualified industrial customers through our specialized hazardous materials distribution network, ensuring full regulatory compliance and proper safety documentation.

Safety & Classification

Danger
Classification:

Expl. 1.1; Acute Tox. 2 *; Acute Tox. 1; Acute Tox. 2 *; STOT RE 2; Aquatic Acute 1; Aquatic Chro...

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H201

Explosive; mass explosion hazard.

H330

Fatal if inhaled.

H310

Fatal in contact with skin.

H300

Fatal if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

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

Fatal

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

Fatal

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

Fatal

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 Number0214
ADR Class1
Packing Group
Tunnel CodeB1000C
Proper Shipping NameTrinitrobenzen, trocken, nicht pulverförmig
Marine PollutantNo

Frequently Asked Questions

What is 1,3,5-trinitrobenzene?

1,3,5-trinitrobenzene is a highly explosive nitroaromatic compound with the molecular formula C6H3N3O6 and CAS number 99-35-4. This chemical consists of a benzene ring with three nitro groups (-NO2) positioned symmetrically at the 1, 3, and 5 positions. With a molecular weight of 213.1 g/mol, it belongs to the class of nitrobenzene derivatives and is classified as an explosive substance with significant toxicity hazards.

What are the physicochemical properties of 1,3,5-trinitrobenzene?

1,3,5-trinitrobenzene is a pale yellow crystalline solid at room temperature with a characteristic aromatic odor. The compound has limited solubility in water but dissolves readily in organic solvents such as acetone and benzene. It exhibits high thermal sensitivity and can decompose explosively under heat, friction, or impact. The substance has a relatively high density and melting point typical of nitroaromatic compounds, making it stable under normal storage conditions but dangerous when subjected to energy input.

What is 1,3,5-trinitrobenzene used for?

1,3,5-trinitrobenzene is primarily used as an explosive compound in military and industrial applications, including demolition and mining operations. It serves as an intermediate in the synthesis of other explosive materials and specialized chemicals. The compound is also utilized in research laboratories for analytical purposes and as a reference standard. Due to its high explosive potential and toxicity, its use is strictly regulated and limited to specialized industrial applications requiring experienced handling by trained professionals.

How to handle 1,3,5-trinitrobenzene safely?

1,3,5-trinitrobenzene requires extreme caution during handling due to its explosive and toxic nature. Personnel must wear appropriate personal protective equipment including explosion-proof clothing, respiratory protection, and safety goggles. Work should be conducted in well-ventilated areas away from heat sources, sparks, and friction. Only trained professionals should handle this substance, using specialized tools and procedures designed for explosive materials. Emergency equipment and decontamination facilities must be readily available during any handling operations.

How to store 1,3,5-trinitrobenzene correctly?

1,3,5-trinitrobenzene must be stored in specialized explosive storage facilities that meet strict regulatory requirements for Class 1 dangerous goods. Storage areas should be cool, dry, and well-ventilated, away from heat sources, ignition sources, and incompatible materials. The substance should be kept in original containers with appropriate labeling and segregated from oxidizing agents, reducing materials, and organic compounds. Access must be restricted to authorized personnel only, with proper inventory control and regular safety inspections.

What to do in case of contact with 1,3,5-trinitrobenzene?

Immediate medical attention is required for any contact with 1,3,5-trinitrobenzene due to its high acute toxicity. For skin contact, remove contaminated clothing and flush the affected area with plenty of water for at least 15 minutes. In case of eye contact, rinse immediately with water and seek emergency medical care. If inhaled, move the person to fresh air and provide artificial respiration if necessary. For ingestion, do not induce vomiting and seek immediate medical attention while providing supportive care.

How to dispose of 1,3,5-trinitrobenzene appropriately?

1,3,5-trinitrobenzene disposal must comply with strict hazardous waste regulations for explosive materials and requires specialized treatment by licensed hazardous waste disposal companies. The substance cannot be disposed of through normal waste streams and must be handled according to local and international regulations for explosive waste. Incineration or controlled detonation by qualified professionals is typically required. All disposal activities must be documented and reported to relevant regulatory authorities, ensuring full compliance with environmental protection standards.

How to transport 1,3,5-trinitrobenzene?

1,3,5-trinitrobenzene is classified as ADR Class 1 dangerous goods, requiring specialized transport procedures for explosive materials. Transportation must comply with international dangerous goods regulations, using approved packaging and labeling systems. Only certified carriers with explosive transport licenses can handle shipments, and specific route restrictions may apply. Documentation must include proper shipping names, hazard classifications, and emergency response information. Vehicle requirements include explosion-proof equipment and trained drivers with hazardous materials certifications.

Is 1,3,5-trinitrobenzene subject to specific regulations?

1,3,5-trinitrobenzene is subject to extensive regulatory oversight under multiple frameworks including REACH registration, CLP classification, and explosive materials legislation. The substance requires proper hazard communication through GHS pictograms (GHS01, GHS06, GHS08, GHS09) and carries the signal word 'Danger'. Import, export, and use may require special permits and licenses from relevant authorities. Companies handling this substance must comply with occupational safety regulations, environmental protection standards, and may need specialized insurance coverage for explosive materials operations.

Where to buy 1,3,5-trinitrobenzene in Europe?

1,3,5-trinitrobenzene is available through OYSI, a specialized European distributor of technical chemicals with expertise in hazardous materials. As a restricted explosive substance, procurement requires proper licensing, end-user certificates, and compliance with regulatory requirements. OYSI provides professional guidance on regulatory compliance, safe handling procedures, and appropriate packaging solutions. Due to the specialized nature and safety requirements of this chemical, customers must demonstrate legitimate industrial use and maintain proper storage and handling capabilities before purchase approval.

Data Sources

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