2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline

C12H5N7O12

CAS131-73-7
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
131-73-7
EC Number
205-037-8
UN Number
0079
Index Number
612-018-00-1
PubChem CID
8576

Physical-chemical properties

Molecular Formula
C12H5N7O12
Molar Mass
439.21 g/mol
IUPAC Name
2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline

Chemical Identifiers

InChI
InChI=1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H
InChI Key
CBCIHIVRDWLAME-UHFFFAOYSA-N

Overview

2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline (CAS 131-73-7) is a highly nitrated aromatic compound with explosive properties and extreme toxicity characteristics. This polynitrated organic compound, also known by its CAS number 131-73-7, represents a complex aromatic structure featuring multiple nitro functional groups attached to a diphenylamine backbone. The molecular formula C12H5N7O12 reflects the high nitrogen and oxygen content typical of energetic materials, with a molecular weight of 439.21 g/mol. The compound's structure incorporates six nitro groups distributed across two benzene rings connected through an amine linkage, resulting in significant instability and hazardous properties. The substance exhibits Class 1.1 explosive characteristics under ADR classification, indicating mass explosion potential under fire conditions. Its toxicological profile shows acute toxicity through multiple exposure routes, with classifications ranging from Category 1 to Category 2 depending on the pathway. Long-term exposure concerns include specific target organ toxicity (STOT RE 2), while environmental hazards encompass chronic aquatic toxicity. The combination of GHS01, GHS06, GHS08, and GHS09 pictograms emphasizes the multi-faceted危险性 spanning explosive, acute toxicity, health, and environmental risks. Industrial applications primarily focus on specialized research and development within controlled environments, particularly in energetic materials research and analytical reference standards. The compound shares chemical similarities with other nitroaromatic compounds like 2-methyl-1,3,5-trinitrobenzene, which also features multiple nitro substituents on aromatic systems. OYSI maintains strict handling protocols for this regulated substance, ensuring compliance with European chemical safety regulations and providing technical support for qualified industrial customers requiring this specialized material.

Safety & Classification

Danger
Classification:

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

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.

H411

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 Number0079
ADR Class1
Packing Group
Tunnel CodeB1000C
Proper Shipping NameHexanitrodiphenylamin, nicht pulverförmig
Marine PollutantNo

Frequently Asked Questions

What is 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline?

2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline is a highly energetic organic compound with the molecular formula C12H5N7O12 and CAS number 131-73-7. This substance belongs to the explosive materials category (Class 1.1) and features multiple nitro groups that make it extremely hazardous. With a molecular weight of 439.21 g/mol, it is classified as both an explosive and highly toxic substance requiring specialized handling procedures and strict safety protocols.

What are the physicochemical properties of 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline?

2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline is a solid crystalline material at room temperature, typically appearing as yellow to orange crystals. Due to its multiple nitro groups and aromatic structure, it has limited solubility in water but may dissolve in certain organic solvents. The compound is thermally sensitive and can decompose explosively under heat, friction, or shock. Its high nitrogen content and molecular structure contribute to its explosive characteristics.

What is 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline used for?

2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline is primarily used in specialized military and defense applications as an explosive material. Its high energy density makes it suitable for certain pyrotechnic formulations and explosive compositions. Due to its extreme hazard classification and regulatory restrictions, its use is limited to authorized facilities with appropriate licensing and safety infrastructure. Industrial applications are highly restricted and require specialized permits.

How to handle 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline safely?

2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline requires extreme caution during handling due to its explosive and highly toxic nature. Essential PPE includes explosion-proof equipment, full-face respirators, chemical-resistant gloves, and protective clothing. Work must be conducted in specialized facilities with explosion-proof ventilation, grounding equipment, and emergency protocols. Only trained personnel with appropriate certifications should handle this substance, following strict quantity limitations and avoiding friction, heat, or static electricity.

How to store 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline correctly?

2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline must be stored in specialized explosive storage facilities meeting stringent regulatory requirements. Storage areas require temperature control, explosion-proof construction, and separation from incompatible materials including oxidizers, reducing agents, and heat sources. Containers must be properly labeled, quantities strictly controlled, and access limited to authorized personnel. Regular inspections and compliance with local explosive storage regulations are mandatory for safe storage.

What to do in case of contact with 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline?

Immediate medical attention is required for any contact with 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline due to its acute toxicity. For skin contact, remove contaminated clothing and flush with copious amounts of water for at least 15 minutes. In case of inhalation, move to fresh air immediately and seek emergency medical care. For eye contact, irrigate with water for 15 minutes. Never induce vomiting if ingested. Contact poison control and inform medical personnel of the substance's explosive and toxic properties.

How to dispose of 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline appropriately?

2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline disposal requires specialized hazardous waste management through licensed explosive disposal facilities. Standard waste disposal methods are prohibited due to explosion risks and environmental toxicity. Disposal must comply with local and international regulations for explosive materials and hazardous substances. Only certified explosive disposal contractors with appropriate permits should handle waste disposal, often requiring controlled detonation or specialized chemical treatment processes.

How to transport 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline?

2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline is classified as ADR Class 1 dangerous goods, requiring specialized explosive transport procedures. Transportation demands certified explosive transport vehicles, trained drivers with ADR certification, and proper explosive packaging materials. Shipping documents, emergency response information, and route planning are mandatory. Quantities are strictly limited, and transport requires permits from relevant authorities. Only licensed explosive transport companies can legally move this substance.

Is 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline subject to special regulations?

2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline is subject to extensive regulations including REACH registration, CLP classification requirements, and explosive material licensing. While not classified as SVHC, its explosive and toxic properties require compliance with national explosive regulations, import/export permits, and workplace safety standards. Military and dual-use export controls may apply, and possession requires appropriate licenses. Users must maintain detailed records and comply with reporting requirements for explosive materials.

Where to buy 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline in Europe?

2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline availability is extremely limited due to its explosive classification and regulatory restrictions. OYSI, as a European chemical distributor, may provide information about authorized suppliers for customers with appropriate licensing and legitimate applications. Purchase requires valid explosive handling permits, end-user certificates, and compliance with import/export regulations. Customers must demonstrate proper storage facilities and safety protocols before any supply arrangement can be considered.

Data Sources

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