1,3-dinitrooxypropan-2-yl nitrate

C3H5N3O9

CAS55-63-0
GHS01 Gefahrensymbol: Explosionsgefährlich – Explodierende Bombe
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
55-63-0
EC Number
200-240-8
UN Number
0160
Index Number
603-034-00-X
PubChem CID
4510

Physical-chemical properties

Molecular Formula
C3H5N3O9
Molar Mass
227.09 g/mol
IUPAC Name
1,3-dinitrooxypropan-2-yl nitrate

Chemical Identifiers

InChI
InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
InChI Key
SNIOPGDIGTZGOP-UHFFFAOYSA-N

Overview

1,3-dinitrooxypropan-2-yl nitrate (CAS 55-63-0) is a nitrate ester explosive compound with extremely high detonation sensitivity and acute toxicity properties. This highly energetic organic nitrate represents one of the most powerful and sensitive explosive materials in industrial chemistry. With the molecular formula C3H5N3O9 and a molecular weight of 227.09 g/mol, this compound belongs to the family of nitrate esters characterized by their exceptional explosive properties and significant safety considerations. The substance exhibits multiple hazard classifications including explosive class 1.1, indicating mass explosion potential, combined with acute toxicity categories that require specialized handling protocols. The compound's chemical structure features three nitrate groups attached to a propane backbone, creating a molecule with exceptional energy density but extreme sensitivity to shock, friction, and heat. This combination makes it both valuable and dangerous in industrial applications. Safety considerations are paramount when working with this material, as evidenced by its GHS pictograms including explosive (GHS01), skull and crossbones (GHS06), health hazard (GHS08), and environmental hazard (GHS09) symbols. The ADR classification of class 1 necessitates specialized transportation and storage requirements under dangerous goods regulations. Industrial applications primarily focus on specialized explosive formulations where maximum energy output is required, mining operations requiring controlled detonation, and research applications in energetic materials development. While sharing certain characteristics with compounds like 1,3,5-trinitrobenzene in terms of explosive properties, this nitrate ester offers distinct performance advantages in specific applications due to its unique molecular structure. OYSI provides this specialized explosive compound to qualified industrial customers with appropriate handling certifications and safety infrastructure.

Safety & Classification

Danger
Classification:

Expl. 1.1; Acute Tox. 2 *; Acute Tox. 1; Acute Tox. 2 *; STOT RE 2 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H201

Explosive; mass explosion hazard.

H330

Fatal if inhaled.

H310

Fatal in contact with skin.

H300

Fatal if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H411

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

Inhalation

Fatal

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Fatal

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Fatal

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number0160
ADR Class1
Packing Group
Tunnel CodeB1000C
Proper Shipping NameNitroglycerin, pulverförmig
Marine PollutantNo

Frequently Asked Questions

What is 1,3-dinitrooxypropan-2-yl nitrate?

1,3-dinitrooxypropan-2-yl nitrate is a highly explosive organic compound with the molecular formula C3H5N3O9 and CAS number 55-63-0. This nitrate ester has a molecular weight of 227.09 g/mol and is classified as an explosive substance of class 1.1. It contains three nitrate groups attached to a propane backbone, making it extremely unstable and dangerous. The compound is also highly toxic and poses significant environmental hazards, requiring specialized handling procedures.

What are the physicochemical properties of 1,3-dinitrooxypropan-2-yl nitrate?

1,3-dinitrooxypropan-2-yl nitrate is typically a colorless to pale yellow liquid or crystalline solid at room temperature, depending on purity and conditions. The compound is sensitive to heat, friction, and impact due to its explosive nature. It has limited solubility in water but dissolves readily in organic solvents. The substance is highly unstable and can decompose violently, releasing toxic nitrogen oxides. Its density and other physical properties can vary based on temperature and formulation.

What is 1,3-dinitrooxypropan-2-yl nitrate used for?

1,3-dinitrooxypropan-2-yl nitrate is primarily used in specialized explosive applications and pyrotechnic formulations where high energy release is required. Due to its extremely hazardous nature, its commercial applications are heavily restricted and limited to specific industrial processes under strict safety protocols. The compound may also be used in research settings for studying explosive mechanisms and in very specialized chemical synthesis. Most applications require special licensing and compliance with explosive handling regulations.

How to handle 1,3-dinitrooxypropan-2-yl nitrate safely?

1,3-dinitrooxypropan-2-yl nitrate requires extreme safety precautions due to its explosive and toxic properties. Personnel must wear full protective equipment including explosion-proof clothing, safety goggles, and respiratory protection. Work must be conducted in specialized facilities designed for explosive materials, away from ignition sources, heat, and friction. Only trained professionals with explosive handling certification should manipulate this substance. Emergency procedures and specialized fire suppression systems must be readily available.

How to store 1,3-dinitrooxypropan-2-yl nitrate correctly?

1,3-dinitrooxypropan-2-yl nitrate must be stored in specialized explosive storage facilities that meet strict regulatory requirements for Class 1.1 explosives. Storage areas must be temperature-controlled, humidity-controlled, and protected from shock, friction, and static electricity. The compound should be kept in approved explosive containers, separated from incompatible materials such as reducing agents, metals, and organic compounds. Access must be restricted to authorized personnel only, with appropriate security measures and inventory controls in place.

What to do in case of contact with 1,3-dinitrooxypropan-2-yl nitrate?

Immediate medical attention is essential for any contact with 1,3-dinitrooxypropan-2-yl nitrate due to its high toxicity. For skin contact, remove contaminated clothing and flush the affected area with copious amounts of water for at least 15 minutes. In case of eye contact, rinse immediately with clean water and seek emergency medical care. If inhaled, move the person to fresh air and provide respiratory support if needed. Never induce vomiting if ingested. Contact poison control and emergency services immediately.

How to dispose of 1,3-dinitrooxypropan-2-yl nitrate appropriately?

1,3-dinitrooxypropan-2-yl nitrate disposal requires specialized explosive waste management procedures and must be handled by licensed hazardous waste disposal companies. The substance cannot be disposed of through normal waste streams due to its explosive classification. Disposal typically involves controlled detonation or specialized chemical neutralization processes at approved facilities. All disposal activities must comply with local and international regulations for explosive materials and hazardous waste. Documentation and tracking are mandatory throughout the disposal process.

How to transport 1,3-dinitrooxypropan-2-yl nitrate?

1,3-dinitrooxypropan-2-yl nitrate is classified as a Class 1 dangerous good under ADR regulations, requiring specialized explosive transport procedures. Transportation must be conducted by licensed carriers with explosive handling certification using approved explosive transport vehicles. Special packaging, labeling, and documentation are mandatory. Transport routes must avoid populated areas and follow designated explosive transport corridors. Emergency response plans and specialized equipment must accompany shipments, and advance notifications to authorities may be required.

Is 1,3-dinitrooxypropan-2-yl nitrate subject to particular regulations?

1,3-dinitrooxypropan-2-yl nitrate is subject to extensive regulations due to its explosive and toxic properties. Under EU CLP regulation, it carries multiple hazard classifications including explosive, acute toxicity, and environmental hazards. The substance requires REACH registration and is subject to explosive precursor regulations. National explosive licensing requirements apply for possession, storage, and use. International transport is governed by ADR/IMDG codes, and additional security regulations may apply due to its potential dual-use nature.

Where to buy 1,3-dinitrooxypropan-2-yl nitrate in Europe?

1,3-dinitrooxypropan-2-yl nitrate is available through specialized chemical distributors like OYSI that handle explosive and highly regulated substances. Due to its dangerous nature, purchases require proper licensing, end-user certificates, and compliance with explosive handling regulations. OYSI can provide guidance on regulatory requirements and proper handling procedures for European customers. Availability is restricted to qualified users with appropriate facilities and permits. Contact OYSI's specialized products division for specific requirements and availability in your region.

Data Sources

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