1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

C6H12N4

CAS100-97-0
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
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Identification

CAS Number
100-97-0
EC Number
202-905-8
UN Number
1328
Index Number
612-101-00-2
PubChem CID
4101

Physical-chemical properties

Molecular Formula
C6H12N4
Molar Mass
140.19 g/mol
IUPAC Name
1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

Chemical Identifiers

InChI
InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
InChI Key
VKYKSIONXSXAKP-UHFFFAOYSA-N

Overview

1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane (CAS 100-97-0) is a tetracyclic nitrogen compound with cage-like structure and notable thermal stability properties. This specialized organic compound, commonly known by its CAS number 100-97-0, represents a unique class of polycyclic nitrogen-containing molecules characterized by its distinctive adamantane-like cage structure. With a molecular formula of C6H12N4 and molecular weight of 140.19 g/mol, this tetrazatricyclic compound exhibits remarkable structural rigidity due to its four nitrogen atoms integrated into the tricyclic framework. The compound's EC number 202-905-8 facilitates its identification in European chemical regulations and commercial applications. From a safety perspective, 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is classified as a flammable solid (Flam. Sol. 2) and potential skin sensitizer (Skin Sens. 1), requiring appropriate handling protocols and storage conditions. The substance carries GHS02 and GHS07 pictograms with a "Warning" signal word, indicating moderate hazard levels. Transportation falls under ADR class 4.1 for flammable solids, necessitating specific packaging and documentation requirements. Industrial applications of this compound span several sectors, particularly in advanced materials synthesis where its cage structure provides unique reactivity patterns. The compound serves as an intermediate in specialty polymer production and finds application in energetic materials research due to its nitrogen-rich composition. Its structural similarity to other cage compounds makes it valuable in comparative studies with materials like 3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane, which features a different heteroatom arrangement within analogous cage frameworks. OYSI maintains reliable supply chains for 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane, ensuring consistent availability for European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Warning
Classification:

Flam. Sol. 2; Skin Sens. 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H228

Flammable solid.

H317

May cause an allergic skin reaction.

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

Skin Contact

Irritant

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:

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 Number1328
ADR Class4.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameHexamethylentetramin
Marine PollutantNo

Frequently Asked Questions

What is 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?

1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is a heterocyclic organic compound with the molecular formula C6H12N4 and CAS number 100-97-0. This chemical features a unique tricyclic structure containing four nitrogen atoms arranged in a cage-like framework. With a molecular weight of 140.19 g/mol, it belongs to the family of tetrazine compounds and exhibits specific chemical properties that make it valuable in various industrial applications.

What are the physicochemical properties of 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?

1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is a crystalline solid at room temperature with a molecular weight of 140.19 g/mol. The compound exhibits stability under normal conditions but is classified as a flammable solid (Category 2) according to GHS classification. Its tetrazine structure provides distinctive chemical reactivity, particularly in cycloaddition reactions. The compound requires careful handling due to its flammable nature and potential for skin sensitization.

What is 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane used for?

1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane serves as a specialized chemical intermediate in organic synthesis and pharmaceutical research. Its unique cage-like structure makes it valuable as a building block for complex molecular architectures. The compound is utilized in the development of energetic materials, specialty polymers, and advanced chemical research applications. Its tetrazine functionality enables specific chemical transformations that are important in materials science and drug discovery processes.

How to handle 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane safely?

1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane requires careful handling due to its flammable solid classification and skin sensitization potential. Essential safety measures include wearing appropriate personal protective equipment such as safety glasses, protective gloves, and lab coats. Work in well-ventilated areas away from ignition sources, static electricity, and heat. Avoid direct skin contact and inhalation of dust particles. Use grounding and bonding procedures when transferring the material to prevent static buildup.

How to store 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane correctly?

1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane must be stored in a cool, dry, well-ventilated area away from heat sources, sparks, and open flames. Keep containers tightly closed and properly labeled in a designated chemical storage area. Due to its flammable solid classification, maintain storage temperature below recommended limits and separate from incompatible materials such as strong oxidizers. Ensure storage facilities comply with local fire safety regulations and provide appropriate fire suppression systems.

What to do in case of contact with 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?

In case of skin contact with 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. Due to the compound's skin sensitization potential, monitor for allergic reactions and seek medical attention if irritation persists or develops.

How to dispose of 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane properly?

1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane must be disposed of according to local, national, and international waste regulations. The compound should be treated as hazardous chemical waste due to its flammable properties and potential environmental impact. Contact licensed waste disposal companies for proper collection and treatment. Never dispose of this material in regular trash, drains, or sewage systems. Maintain proper documentation of waste disposal activities and ensure compliance with applicable environmental regulations.

How to transport 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?

1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is classified under ADR Class 4.1 (Flammable Solids) Packing Group III for transportation purposes. The compound must be packaged in approved containers according to dangerous goods regulations and properly labeled with appropriate hazard markings. Transportation requires compliance with ADR/RID regulations for road and rail transport. Ensure proper documentation including safety data sheets and transport documents accompany shipments, and use certified dangerous goods transporters.

Is 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane subject to specific regulations?

1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is subject to standard chemical regulations including REACH registration requirements in Europe and CLP classification for hazard communication. The compound is not currently listed as a Substance of Very High Concern (SVHC) under REACH. However, it must comply with workplace safety regulations, transportation laws (ADR Class 4.1), and environmental protection standards. Users must maintain safety data sheets and ensure proper risk assessments are conducted before use.

Where to buy 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane in Europe?

1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to research institutions, pharmaceutical companies, and industrial users across Europe with proper regulatory compliance and quality documentation. As a professional chemical supplier, OYSI ensures appropriate packaging, labeling, and documentation for safe delivery. Contact OYSI directly for availability, specifications, and regulatory information specific to your application requirements.

Data Sources

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