1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene

C12H15N3O6

CAS81-15-2
GHS01 Gefahrensymbol: Explosionsgefährlich – Explodierende Bombe
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
81-15-2
EC Number
201-329-4
UN Number
2956
Index Number
609-068-00-1
PubChem CID
62329

Physical-chemical properties

Molecular Formula
C12H15N3O6
Molar Mass
297.26 g/mol
IUPAC Name
1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene

Chemical Identifiers

InChI
InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
InChI Key
XMWRWTSZNLOZFN-UHFFFAOYSA-N

Overview

1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene (CAS 81-15-2) is a nitroaromatic explosive compound with high thermal stability and controlled detonation properties. This specialized chemical compound belongs to the trinitrobenzene family and serves as an important industrial explosive material in various technical applications. With its molecular formula C12H15N3O6 and molecular weight of 297.26 g/mol, this substance exhibits unique structural characteristics due to the combination of tert-butyl and dimethyl substituents on the trinitrobenzene core. The compound's classification under GHS includes explosive category 1.1, carcinogenic category 2, and acute/chronic aquatic toxicity, requiring stringent handling protocols and specialized storage conditions. The presence of three nitro groups (-NO2) attached to the benzene ring, along with the tert-butyl and dimethyl substituents, contributes to its explosive properties while providing enhanced stability compared to simpler nitroaromatic compounds. This structural arrangement differentiates it from related substances such as 2-nitronaphthalene, which contains only a single nitro group and exhibits different reactivity patterns. The compound displays significant thermal resistance, making it suitable for applications requiring controlled explosive performance under elevated temperatures. Primary industrial applications include specialized mining operations, military ordnance manufacturing, and controlled demolition projects where precise explosive characteristics are essential. The compound also finds use in pyrotechnic formulations and as an intermediate in the synthesis of other energetic materials. Safety considerations are paramount due to its explosive nature and potential carcinogenic properties, necessitating appropriate personal protective equipment and ventilation systems during handling. OYSI maintains availability of 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene for qualified industrial customers across European markets, ensuring compliance with all relevant transportation and safety regulations.

Safety & Classification

Danger
Classification:

Expl. 1.1; Carc. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H201

Explosive; mass explosion hazard.

H351

Suspected of causing cancer.

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

Transport (ADR)

UN Number2956
ADR Class4.1
Packing GroupIII
Tunnel CodeD
Proper Shipping Name5-tert-Butyl-2,4,6-trinitro-m-xylen
Marine PollutantNo

Frequently Asked Questions

What is 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene?

1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene is an explosive aromatic compound with molecular formula C12H15N3O6 and CAS number 81-15-2. This nitrated benzene derivative contains three nitro groups and has a molecular weight of 297.26 g/mol. It is classified as a Class 1.1 explosive and poses significant safety hazards including carcinogenic properties and environmental toxicity to aquatic organisms.

What are the physicochemical properties of 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene?

1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene is a crystalline solid at room temperature with a molecular weight of 297.26 g/mol. As a highly nitrated aromatic compound, it typically appears as pale yellow crystals. The substance has limited water solubility due to its hydrophobic tert-butyl group, but shows better solubility in organic solvents. Its explosive nature makes detailed physical testing challenging and potentially dangerous.

What is 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene used for?

1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene is primarily used in specialized explosive applications and research. Its applications are highly restricted due to its explosive classification (Expl. 1.1) and require specific licensing and safety protocols. The compound may be used in military applications, demolition work, or as a research chemical in controlled laboratory environments. All uses must comply with strict regulatory requirements and safety procedures due to its dangerous properties.

How to handle 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene safely?

1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene requires extreme caution during handling due to its explosive and carcinogenic properties. Essential PPE includes explosion-proof equipment, full face protection, chemical-resistant gloves, and protective clothing. Work only in well-ventilated areas away from ignition sources, heat, and friction. Use non-sparking tools and ground all equipment. Handle minimal quantities and follow strict protocols. Only trained personnel should handle this substance under controlled conditions.

How to store 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene correctly?

1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene must be stored in specialized explosive storage facilities meeting regulatory requirements. Store in cool, dry conditions away from heat sources, ignition sources, and incompatible materials. Use explosion-proof electrical equipment and maintain stable temperatures. Keep containers tightly sealed and properly labeled. Storage areas must be secure, well-ventilated, and equipped with appropriate fire suppression systems. Follow local explosive storage regulations and limit quantities stored.

What to do in case of contact with 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene?

Immediate action is required upon contact with 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene due to its toxic and carcinogenic properties. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, rinse immediately with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention promptly in all cases of exposure, informing medical personnel of the substance's explosive and carcinogenic nature.

How to dispose of 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene appropriately?

1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene disposal requires specialized hazardous waste management due to its explosive and toxic properties. Contact licensed explosive disposal experts or specialized hazardous waste contractors. Never attempt disposal through normal waste streams or incineration without proper equipment. The substance requires controlled destruction methods in approved facilities. Follow local and national regulations for explosive waste disposal. Document all disposal activities and maintain proper chain of custody records for regulatory compliance.

How to transport 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene?

1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene is classified under ADR Class 4.1, Packing Group III for transport purposes. Transportation requires specialized packaging meeting UN specifications and proper hazardous goods documentation. Use authorized carriers trained in explosive materials handling. Vehicles must be equipped with appropriate safety equipment and follow designated routes. Transport documents must include proper shipping names, hazard labels, and emergency response information. Comply with quantity limitations and segregation requirements during transport.

Is 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene subject to specific regulations?

1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene is subject to extensive regulatory oversight due to its explosive and carcinogenic classification. Under CLP regulation, it requires specific labeling with GHS01, GHS08, and GHS09 pictograms and 'Danger' signal word. REACH registration requirements apply for commercial use. Additional explosive licensing, permits for handling, storage, and transport are mandatory. Environmental regulations apply due to its aquatic toxicity. National explosive regulations and workplace safety laws impose strict control measures.

Where to buy 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene in Europe?

1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene is available through OYSI, a specialized European distributor of technical chemicals. Due to its explosive classification and regulatory restrictions, purchase requires proper licensing and authorization from relevant authorities. OYSI can provide guidance on regulatory requirements and proper handling procedures. Contact OYSI directly to discuss availability, quantities, and compliance requirements. All purchases must meet strict regulatory criteria and safety protocols for explosive materials handling and storage.

Data Sources

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