3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

C4H4N6O6

CAS55510-04-8

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Identification

CAS Number
55510-04-8
EC Number
259-682-5
UN Number
0489
PubChem CID
62101

Physical-chemical properties

Molecular Formula
C4H4N6O6
Molar Mass
232.11 g/mol
IUPAC Name
3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

Chemical Identifiers

InChI
InChI=1S/C4H4N6O6/c11-3-5-1-2(8(3)10(15)16)6-4(12)7(1)9(13)14/h1-2H,(H,5,11)(H,6,12)
InChI Key
YZTLXSKKFIMAKY-UHFFFAOYSA-N

Overview

3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (CAS 55510-04-8) is a nitrated heterocyclic compound with energetic properties and specialized industrial applications. This complex nitrogen-rich organic compound, with the molecular formula C4H4N6O6 and a molecular weight of 232.11 g/mol, belongs to the family of nitrated imidazole derivatives. The substance features a unique bicyclic structure containing two imidazole rings fused together, with nitro groups at positions 3 and 6, contributing to its distinctive chemical properties. The EC number 259-682-5 identifies this compound within European chemical regulations. The compound's structure incorporates multiple nitrogen atoms and nitro functionalities, which are characteristic of energetic materials. Its classification under ADR Class 1 indicates its potential explosive nature, requiring specialized handling, storage, and transportation protocols. Despite the absence of standard GHS pictograms in routine commercial classification, proper safety measures must be implemented when working with this material. The high nitrogen content and nitro substitution pattern place this compound in a similar category to other nitrated aromatic compounds such as 2-methyl-1,3,5-trinitrobenzene, though the heterocyclic nature provides distinct reactivity profiles. Industrial applications typically include specialized roles in energetic formulations, research and development of advanced materials, and as a chemical intermediate in the synthesis of other nitrogen-rich compounds. The compound requires careful handling by trained personnel with appropriate safety equipment and storage facilities designed for energetic materials. Quality control and purity specifications are critical factors in its commercial applications. OYSI provides this specialized chemical compound to qualified industrial customers across Europe, ensuring compliance with all relevant safety and transportation regulations.

Safety & Classification

No Hazard Classification

This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.

Transport (ADR)

UN Number0489
ADR Class1
Packing Group
Tunnel CodeB1000C
Proper Shipping NameDinitroglycoluril, nicht pulverförmig
Marine PollutantNo

Frequently Asked Questions

What is 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?

3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is a specialized organic compound with the molecular formula C4H4N6O6 and CAS number 55510-04-8. This bicyclic heterocyclic compound features two imidazole rings fused together, with nitro groups at positions 3 and 6, and two carbonyl groups forming dione functionalities. With a molecular weight of 232.11 g/mol, it represents a highly functionalized nitrogen-rich organic molecule used in specialized chemical applications.

What are the physicochemical properties of 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?

3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is a solid crystalline compound at room temperature with a molecular weight of 232.11 g/mol. The presence of multiple nitro groups and carbonyl functionalities suggests limited water solubility and high polarity. The compound's bicyclic structure with extensive nitrogen content indicates thermal stability under normal conditions, though specific melting point, density, and solubility data require experimental determination for precise characterization.

What is 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione used for?

3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione serves as a specialized intermediate in pharmaceutical research and advanced organic synthesis. Its unique bicyclic structure with nitro and dione functionalities makes it valuable for developing energetic materials, pharmaceutical compounds, and as a building block in heterocyclic chemistry. The compound finds applications in research laboratories working on nitrogen-rich heterocycles and in the synthesis of complex molecular architectures requiring specific functional group arrangements.

How to handle 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione safely?

Handle 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione using standard laboratory safety protocols including wearing appropriate personal protective equipment such as safety glasses, gloves, and lab coats. Work in a well-ventilated area or under a fume hood to prevent inhalation exposure. Avoid contact with skin, eyes, and clothing. Use suitable tools for transferring the material and ensure proper grounding when handling to prevent static buildup. Keep away from heat sources, sparks, and open flames during manipulation.

How to store 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione correctly?

Store 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed and properly labeled in a designated chemical storage area. Due to its nitro group functionality, avoid storage near strong reducing agents, metals, and combustible materials. Use appropriate secondary containment and ensure storage temperatures remain stable. Regularly inspect containers for signs of deterioration and maintain proper inventory records for traceability.

What to do in case of contact with 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?

In case of skin contact with 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione, immediately wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse thoroughly with clean water for 15 minutes while keeping eyelids open. If inhaled, move the person to fresh air immediately. Remove contaminated clothing and wash before reuse. Seek medical attention if irritation persists or if large quantities were involved in the exposure incident.

How to dispose of 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione properly?

Dispose of 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione through licensed hazardous waste disposal companies in accordance with local, national, and international environmental regulations. Never dispose of this compound in regular waste streams, sewage systems, or by incineration without proper authorization. Collect waste in appropriate containers, properly label them, and maintain disposal records. Consult local environmental authorities for specific disposal requirements and approved waste treatment facilities in your region.

How to transport 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?

Transport 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione follows ADR Class 1 regulations due to its energetic nature and nitro group functionality. Use appropriate UN-specification packaging designed for Class 1 materials, with proper labeling and documentation. Ensure compliance with dangerous goods regulations including proper shipping papers, emergency response information, and driver training requirements. Coordinate with certified dangerous goods transporters familiar with explosive materials handling and maintain proper segregation from incompatible substances during transit.

Is 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione subject to specific regulations?

3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is subject to standard chemical regulations including REACH registration requirements in the European Union for commercial use. While not classified as a Substance of Very High Concern (SVHC), it must comply with CLP regulation for classification, labeling, and packaging. Given its ADR Class 1 classification, additional explosive materials regulations may apply. Users must ensure compliance with local chemical safety regulations and maintain proper documentation for regulatory compliance and traceability.

Where to buy 3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione in Europe?

3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is available through OYSI, a specialized European distributor of technical chemicals and research compounds. OYSI provides reliable supply chains for specialized organic compounds to research institutions, pharmaceutical companies, and industrial customers across Europe. Contact OYSI directly for availability, technical specifications, safety documentation, and regulatory compliance information. Their expertise in handling specialized chemical products ensures proper packaging, documentation, and delivery according to applicable regulations.

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3,6-dinitro-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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