[2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate

C12H12N6O18

CAS105554-30-1

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Identification

CAS Number
105554-30-1
UN Number
PubChem CID
24834617

Physical-chemical properties

Molecular Formula
C12H12N6O18
Molar Mass
528.25 g/mol
IUPAC Name
[2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate

Chemical Identifiers

InChI
InChI=1S/C12H12N6O18/c19-13(20)31-1-7-8(2-32-14(21)22)10(4-34-16(25)26)12(6-36-18(29)30)11(5-35-17(27)28)9(7)3-33-15(23)24/h1-6H2
InChI Key
FCPCIAHTKGTSPH-UHFFFAOYSA-N

Overview

[2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate (CAS 105554-30-1) is a highly nitrated aromatic compound with explosive properties and multiple nitrate ester functionalities. This complex organic nitrate represents a specialized class of energetic materials characterized by its benzene ring backbone substituted with six nitrooxymethyl groups. With a molecular formula of C12H12N6O18 and molecular weight of 528.25 g/mol, this compound exhibits an exceptionally high nitrogen-to-carbon ratio, indicating significant energetic potential. The structure contains multiple nitrate ester linkages (-CH2ONO2), which are characteristic of compounds used in propellant and explosive applications. The compound's molecular architecture features a central benzene ring where each carbon atom bears a nitrooxymethyl substituent, creating a highly functionalized aromatic system. This high degree of nitration contributes to its energetic properties while also presenting specific handling and storage considerations. The presence of multiple nitrate groups makes this material sensitive to impact, friction, and thermal stimuli, requiring specialized expertise in energetic materials for safe manipulation. Primary industrial applications include use as an energetic additive in specialized propellant formulations, as a component in mining explosives where controlled energy release is required, and in military ordnance applications where high energy density is essential. The compound's unique structure allows for precise energy output control in specialized pyrotechnic compositions. Due to its specialized nature and potential hazards, this material requires careful handling protocols and appropriate storage conditions. OYSI maintains expertise in energetic materials distribution and can provide technical guidance for qualified industrial customers requiring this specialized chemical compound.

Safety & Classification

No Hazard Classification

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

Frequently Asked Questions

What is [2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate?

[2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate is a highly nitrated organic compound with CAS number 105554-30-1 and molecular formula C12H12N6O18. This complex molecule features a benzene ring with six nitrooxymethyl substituents, giving it a molecular weight of 528.25 g/mol. The compound belongs to the class of polynitrate esters, characterized by multiple nitrate groups attached to a central aromatic structure.

What are the physicochemical properties of [2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate?

[2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate is a solid compound at room temperature with a molecular weight of 528.25 g/mol. Due to its highly nitrated structure containing six nitrate ester groups, it likely exhibits limited water solubility but may be soluble in organic solvents. The compound's physical appearance and specific properties like melting point and density require specialized analytical characterization due to its complex polynitrate structure.

What is [2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate used for?

[2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate is primarily used in specialized research applications and potentially in energetic materials development. Its multiple nitrate groups make it of interest for studies involving controlled energy release systems, propellant research, or as a synthetic intermediate in pharmaceutical chemistry. The compound may also serve as a reference standard in analytical chemistry or for academic research purposes in organic synthesis laboratories.

How to handle [2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate safely?

[2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate should be handled with extreme caution due to its polynitrate structure. Always wear appropriate personal protective equipment including safety glasses, chemical-resistant gloves, and lab coats. Work in well-ventilated areas or under fume hoods to avoid inhalation. Use non-sparking tools and avoid friction, heat, or shock. Keep quantities small and ensure proper grounding of equipment to prevent static electricity buildup during handling operations.

How to store [2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate correctly?

[2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate must be stored in a cool, dry place away from heat sources, direct sunlight, and ignition sources. Keep containers tightly sealed and store separately from incompatible materials such as strong acids, bases, reducing agents, and metal powders. Use appropriate secondary containment and limit storage quantities. Ensure storage areas have adequate ventilation and temperature control to prevent decomposition or unwanted reactions.

What to do in case of contact with [2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate?

Immediate action is required upon contact with [2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate. For skin contact, remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention, bringing the safety data sheet.

How to dispose of [2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate appropriately?

[2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate must be disposed of through specialized hazardous waste disposal services due to its energetic nature. Never dispose of this compound through regular waste streams or sewers. Contact licensed hazardous waste contractors experienced in handling energetic materials. Small quantities should be neutralized or destroyed using appropriate chemical methods under controlled conditions by qualified personnel. Always comply with local, national, and international regulations for energetic waste disposal.

How to transport [2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate?

[2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate requires specialized transport procedures due to its polynitrate structure. While specific ADR classification data is not available, the compound likely falls under dangerous goods regulations for energetic materials. Transport should only be conducted by certified carriers experienced in handling potentially explosive substances. Use appropriate packaging, labeling, and documentation. Consult with transport authorities and logistics specialists familiar with energetic materials before shipping.

Is [2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate subject to specific regulations?

[2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate is subject to various chemical regulations including REACH registration requirements in Europe. The compound is not currently listed as a SVHC (Substance of Very High Concern), but its polynitrate structure may trigger additional scrutiny under explosives regulations, dual-use export controls, or specialized licensing requirements. Users must comply with local chemical safety laws, occupational health regulations, and any applicable restrictions on energetic materials.

Where to buy [2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate in Europe?

[2,3,4,5,6-pentakis(nitrooxymethyl)phenyl]methyl nitrate is available through OYSI, a specialized European distributor of technical chemicals. As a compound requiring careful handling and regulatory compliance, OYSI provides expert support for procurement, documentation, and logistics. Due to the specialized nature of this polynitrate compound, availability may be limited and subject to regulatory verification. Contact OYSI directly to discuss specific requirements, quantities, and compliance documentation needed for your application.

Data Sources

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