1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
C12H15N3O6
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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 highly nitrated aromatic compound with explosive properties and significant environmental toxicity. This polynitrated benzene derivative represents a specialized chemical intermediate featuring a unique substitution pattern that combines both electron-donating alkyl groups and highly electron-withdrawing nitro functionalities. The molecular structure contains three nitro groups positioned at the 2,4,6-positions of the benzene ring, along with methyl substituents at positions 3 and 5, and a bulky tert-butyl group at position 1. This specific arrangement creates a compound with notable instability characteristics, classified under GHS explosive category 1.1, requiring extreme caution in handling and storage. The compound's safety profile demands rigorous attention due to its multiple hazard classifications. Beyond its primary explosive nature, 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene exhibits carcinogenic properties (Category 2) and poses severe environmental risks through acute and chronic aquatic toxicity. Transportation falls under ADR class 4.1 for flammable solids, reflecting the compound's propensity for thermal decomposition and potential ignition hazards. These characteristics place it in a similar risk category to other nitrated aromatics, though distinct from simpler nitro compounds like 2-nitronaphthalene in terms of explosive potential. Industrial applications primarily focus on specialized chemical synthesis where controlled nitration reactions are required, explosive formulation research under strict regulatory oversight, and as an intermediate in the production of specific energetic materials. The compound also serves research purposes in studying nitro group reactivity and aromatic substitution mechanisms. OYSI maintains this specialized chemical within our technical product portfolio, ensuring compliance with all European safety and transportation regulations for qualified industrial customers.
Safety & Classification
Expl. 1.1; Carc. 2; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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 Number | 2956 |
| ADR Class | 4.1 |
| Packing Group | III |
| Tunnel Code | D |
| Proper Shipping Name | 5-tert-Butyl-2,4,6-trinitro-m-xylen |
| Marine Pollutant | No |
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 the molecular formula C12H15N3O6 and CAS number 81-15-2. This nitrobenzene derivative features a tert-butyl group and two methyl groups attached to a trinitrobenzene ring structure. With a molecular weight of 297.26 g/mol, it belongs to the class of explosive materials and is classified as Explosive 1.1 under GHS regulations, indicating high explosion hazard with mass explosion potential.
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 solid crystalline compound at room temperature with a molecular weight of 297.26 g/mol. As a nitroaromatic compound, it typically appears as pale yellow to light brown crystals. The presence of multiple nitro groups makes it relatively stable under normal conditions but highly explosive when subjected to shock, friction, or heat. Its solubility varies depending on the solvent, with limited solubility in water due to its aromatic nature.
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 as an explosive compound in specialized industrial applications. Its explosive properties make it suitable for controlled demolition, mining operations, and military applications where precise explosive characteristics are required. Due to its high hazard classification and regulatory restrictions, its use is strictly limited to professional applications by trained personnel with appropriate licenses and safety protocols. Commercial availability is heavily regulated due to security concerns.
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 nature. Personnel must wear full protective equipment including anti-static clothing, safety goggles, and protective gloves. Work areas must be explosion-proof with proper ventilation and grounding to prevent static electricity buildup. Avoid friction, impact, heat sources, and incompatible materials. Only trained professionals with explosive handling certification should work with this substance in designated safe areas with emergency procedures in place.
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 strict regulatory requirements. Storage areas should be cool, dry, well-ventilated, and away from heat sources, ignition sources, and incompatible materials. Containers must be properly grounded and explosion-proof. Maximum storage quantities are strictly regulated by local authorities. Regular inspections for container integrity and environmental conditions are mandatory. Access must be restricted to authorized personnel only, with proper security measures in place.
What to do in case of contact with 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene?
Immediate action is required in case of contact with 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene. For skin contact, remove contaminated clothing and wash affected area 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. For ingestion, do not induce vomiting and seek immediate medical attention. Always inform medical personnel about the substance's explosive and carcinogenic properties for appropriate treatment.
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 must be handled exclusively by licensed hazardous waste disposal companies specialized in explosive materials. The substance cannot be disposed of through normal waste channels due to its explosive and environmental hazard classifications. Disposal methods typically involve controlled detonation or specialized chemical neutralization processes. All disposal activities must comply with local, national, and international regulations governing explosive waste management. Documentation and tracking throughout the disposal process is mandatory.
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 (Flammable solids), Packing Group III for transportation purposes. Transport requires specialized explosive-rated packaging and must be handled by certified carriers with explosive materials transportation licenses. Vehicles must be equipped with appropriate safety equipment and emergency response materials. Route planning must avoid populated areas and follow designated explosive transport corridors. All transport documentation, placarding, and emergency response information must comply with ADR regulations.
Is 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene subject to special regulations?
1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene is subject to extensive regulatory oversight under multiple frameworks. Under CLP regulation, it requires hazard classification as Explosive 1.1 and Category 2 Carcinogen with specific labeling requirements. REACH registration may be required depending on quantities. Additional explosive materials regulations, import/export controls, and security clearances apply. The substance is not currently listed as SVHC, but its carcinogenic classification requires special handling protocols and worker protection measures under occupational health regulations.
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 with expertise in hazardous materials. Due to its explosive classification, purchase requires proper licensing, end-use certification, and compliance with security regulations. Buyers must demonstrate legitimate professional need and appropriate handling facilities. OYSI can provide guidance on regulatory requirements, safety documentation, and proper handling procedures. Contact OYSI directly to discuss availability, quantities, and regulatory compliance for your specific application requirements.
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1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.