[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate
C5H8N4O12
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Identification
- CAS Number
- 78-11-5
- EC Number
- 201-084-3
- UN Number
- Index Number
- 603-035-00-5
- PubChem CID
- 6518
Physical-chemical properties
- Molecular Formula
- C5H8N4O12
- Molar Mass
- 316.14 g/mol
- IUPAC Name
- [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate
Chemical Identifiers
- InChI
- InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2
- InChI Key
- TZRXHJWUDPFEEY-UHFFFAOYSA-N
Overview
[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate (CAS 78-11-5) is a pentaerythritol tetranitrate explosive compound with high energy density and extreme shock sensitivity. This highly energetic nitrate ester, commonly known by its CAS number 78-11-5, represents a critical compound in the explosives industry due to its exceptional detonation characteristics and molecular formula C5H8N4O12. With a molecular weight of 316.14 g/mol, this pentaerythritol derivative exhibits the classic structure of nitrate esters, featuring four nitrooxy groups attached to a central pentaerythritol backbone, making it significantly more powerful than conventional explosives. The compound falls under the GHS classification as Explosive 1.1 with the danger signal word and GHS01 pictogram, indicating its potential for mass explosion. Its extreme sensitivity to impact, friction, and heat requires specialized handling protocols and storage conditions. The presence of multiple nitrate groups contributes to its high oxygen balance, resulting in efficient combustion and substantial energy release upon detonation. Industrial applications primarily focus on military ordnance, where its high brisance and detonation velocity make it valuable for specialized explosive formulations. The compound also finds use in controlled demolition applications and as a component in certain pyrotechnic compositions. Like other energetic materials in its class, including compounds such as [(2R,3R,4R,5R)-1,2,4,5,6-pentanitrooxyhexan-3-yl] nitrate, it requires extensive safety measures and regulatory compliance. OYSI provides this specialized explosive compound to qualified industrial customers with appropriate licensing and safety certifications, ensuring proper documentation and handling procedures throughout the supply chain.
Safety & Classification
Expl. 1.1
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Explosive; mass explosion 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
Frequently Asked Questions
What is [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate?
[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate is a highly energetic nitrate ester compound with the molecular formula C5H8N4O12 and CAS number 78-11-5. This substance has a molecular weight of 316.14 g/mol and is classified as an explosive material under Class 1.1. It belongs to the family of polynitrate compounds, characterized by multiple nitrooxy functional groups that make it extremely sensitive to shock, friction, and heat.
What are the physicochemical properties of [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate?
[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate is a solid crystalline compound at room temperature with high explosive properties. As a polynitrate ester, it typically appears as white to pale yellow crystals and is moderately soluble in organic solvents but poorly soluble in water. The compound is highly sensitive to mechanical shock, friction, and thermal stimuli due to its multiple nitrooxy groups, making it extremely hazardous to handle.
What is [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate used for?
[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate is primarily used in specialized explosive applications and energetic material research. It serves as a component in military explosives, commercial blasting agents, and pyrotechnic formulations where high energy density is required. The compound may also be utilized in research and development of advanced energetic materials and as a reference standard in explosive detection and analysis applications.
How to handle [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate safely?
[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate requires extreme caution during handling due to its Class 1.1 explosive classification. Personnel must wear appropriate PPE including antistatic clothing, safety glasses, and work in designated explosive handling areas with proper grounding. Avoid any friction, impact, or heat sources. Only trained and authorized personnel should handle this material, using non-sparking tools and following strict quantity limits per safety protocols.
How to store [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate correctly?
[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate must be stored in approved explosive storage magazines that meet regulatory requirements for Class 1.1 materials. Storage areas should be cool, dry, well-ventilated, and away from heat sources, incompatible materials, and populated areas. The compound should be kept in original containers, protected from shock and friction, with strict quantity limitations and proper separation distances as mandated by local explosive storage regulations.
What to do in case of contact with [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate?
Immediate evacuation of the area is critical if [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate is accidentally contacted or spilled. For skin contact, gently brush off any material without rubbing and wash with copious amounts of water. In case of eye contact, flush immediately with water for at least 15 minutes. If ingested, do not induce vomiting and seek immediate medical attention. Contact emergency services and explosive ordnance disposal units for cleanup and disposal.
How to dispose of [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate appropriately?
[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate must be disposed of through specialized explosive waste disposal services or military explosive ordnance disposal units. The material cannot be disposed of through normal chemical waste channels due to its explosive nature. Disposal typically involves controlled detonation or specialized treatment by licensed explosive disposal contractors. Never attempt to dispose of this material through standard laboratory or industrial waste streams as it poses extreme safety risks.
How to transport [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate?
[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate requires specialized transportation under dangerous goods regulations as an explosive material. Transport must comply with ADR/IMDG/IATA regulations for explosive substances, using approved packaging, proper labeling with GHS01 pictogram, and accompanied by required documentation. Only authorized carriers with explosive transport permits can handle shipments, and specific routing, quantity limits, and security measures must be followed throughout the transport chain.
Is [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate subject to specific regulations?
[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate is subject to extensive regulations including explosive control laws, REACH registration requirements, and CLP classification as Explosive 1.1 with Danger signal word. The substance requires special licenses for possession, handling, and distribution in most jurisdictions. It falls under military and dual-use export control regulations and requires compliance with national explosive regulations, workplace safety standards, and environmental protection measures.
Where to buy [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate in Europe?
[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate can be sourced through OYSI, a specialized European distributor of technical chemicals with expertise in regulated substances. Due to its explosive classification, procurement requires proper licensing, end-use certificates, and compliance with explosive control regulations. OYSI can assist with regulatory requirements and provide guidance on proper handling, storage, and transportation arrangements for qualified customers with legitimate applications in research or industrial settings.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.