5-nitro-2H-benzotriazole
C6H4N4O2
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Identification
- CAS Number
- 2338-12-7
- EC Number
- 219-047-5
- UN Number
- 0385
- PubChem CID
- 61301
Physical-chemical properties
- Molecular Formula
- C6H4N4O2
- Molar Mass
- 164.12 g/mol
- IUPAC Name
- 5-nitro-2H-benzotriazole
Chemical Identifiers
- InChI
- InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)
- InChI Key
- AOCDQWRMYHJTMY-UHFFFAOYSA-N
Overview
5-nitro-2H-benzotriazole (CAS 2338-12-7) is a nitrated heterocyclic compound with explosive properties and specialized industrial applications. This benzotriazole derivative represents an important class of nitrogen-rich organic compounds characterized by its fused triazole ring system with a nitro substituent at the 5-position. With the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol, 5-nitro-2H-benzotriazole exhibits distinctive chemical properties that make it valuable for specific technical applications, particularly where energetic materials are required. The compound's structure combines the stability of the benzotriazole core with the reactivity of the nitro group, resulting in unique performance characteristics. Its classification under ADR Class 1 indicates its explosive nature, requiring specialized handling, storage, and transportation protocols. Despite the absence of standard GHS pictograms in routine commercial contexts, proper safety measures must be implemented when working with this material due to its energetic properties. Like related nitro compounds such as 2-methyl-1,3,5-trinitrobenzene, this substance finds applications in specialized sectors including explosives manufacturing, propellant formulations, and as an intermediate in the synthesis of other energetic materials. The compound also serves as a research chemical for studying benzotriazole chemistry and developing new materials with specific performance requirements. Industrial applications typically involve its use as a component in explosive compositions, where its nitrogen-rich structure contributes to the desired energy output. Additionally, it may function as an intermediate in pharmaceutical synthesis or specialty chemical manufacturing processes requiring benzotriazole derivatives. OYSI maintains reliable supply chains for 5-nitro-2H-benzotriazole, ensuring consistent availability for qualified industrial customers across Europe with appropriate handling certifications.
Safety & Classification
No Hazard Classification
This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.
Transport (ADR)
| UN Number | 0385 |
| ADR Class | 1 |
| Packing Group | |
| Tunnel Code | B1000C |
| Proper Shipping Name | 5-Nitrobenzotriazol, nicht pulverförmig |
| Marine Pollutant | No |
Frequently Asked Questions
What is 5-nitro-2H-benzotriazole?
5-nitro-2H-benzotriazole is an organic chemical compound with the molecular formula C6H4N4O2 and CAS number 2338-12-7. This substance belongs to the benzotriazole family, featuring a nitro group (-NO2) attached to the benzene ring at the 5-position. With a molecular weight of 164.12 g/mol, it appears as a crystalline solid with characteristic chemical properties typical of nitro-substituted aromatic heterocycles.
What are the physicochemical properties of 5-nitro-2H-benzotriazole?
5-nitro-2H-benzotriazole is typically a yellowish to light brown crystalline solid at room temperature. The compound exhibits limited solubility in water but shows better solubility in organic solvents such as alcohols and acetone. Its melting point is relatively high due to the stable aromatic ring structure and intermolecular hydrogen bonding. The nitro group contributes to its polar character and influences its chemical reactivity.
What is 5-nitro-2H-benzotriazole used for?
5-nitro-2H-benzotriazole is primarily used as an intermediate in pharmaceutical synthesis and as a building block for specialty chemicals. It serves as a precursor in the manufacture of dyes, pigments, and optical brighteners. The compound also finds applications in the development of UV stabilizers and corrosion inhibitors. Its benzotriazole structure makes it valuable in research and development for creating new chemical entities with specific properties.
How to handle 5-nitro-2H-benzotriazole safely?
5-nitro-2H-benzotriazole should be handled with standard laboratory safety precautions including wearing appropriate personal protective equipment such as safety glasses, gloves, and lab coats. Work in well-ventilated areas or under fume hoods to avoid inhalation of dust particles. Avoid direct skin contact and wash hands thoroughly after handling. Keep away from heat sources, sparks, and open flames as a general precaution with organic compounds.
How to store 5-nitro-2H-benzotriazole correctly?
5-nitro-2H-benzotriazole should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. Keep the substance away from incompatible materials such as strong oxidizing agents and reducing agents. Store at room temperature in original packaging with proper labeling. Ensure storage areas are equipped with appropriate spill containment measures and maintain good housekeeping practices.
What to do in case of contact with 5-nitro-2H-benzotriazole?
In case of skin contact with 5-nitro-2H-benzotriazole, immediately wash the affected area with plenty of soap and water for at least 15 minutes. If eye contact occurs, rinse thoroughly with clean water for several minutes and remove contact lenses if present. In case of inhalation, move to fresh air immediately. If ingested, do not induce vomiting and seek medical attention. Always consult safety data sheets for specific guidance.
How to dispose of 5-nitro-2H-benzotriazole appropriately?
5-nitro-2H-benzotriazole waste must be disposed of according to local, national, and international environmental regulations. Contact licensed waste disposal companies that specialize in chemical waste management. Do not discharge into drains, soil, or water bodies. Small laboratory quantities may require special collection procedures, while larger amounts need professional hazardous waste disposal. Always check current waste classification codes and disposal requirements in your jurisdiction.
How to transport 5-nitro-2H-benzotriazole?
5-nitro-2H-benzotriazole falls under ADR Class 1 for transportation purposes, indicating it requires special handling during shipping. Proper packaging, labeling, and documentation are essential according to dangerous goods regulations. Use UN-approved packaging and ensure proper placarding of transport vehicles. Consult current ADR regulations and work with qualified dangerous goods transport specialists to ensure compliance with all applicable transportation requirements.
Is 5-nitro-2H-benzotriazole subject to specific regulations?
5-nitro-2H-benzotriazole is not classified as a Substance of Very High Concern (SVHC) under REACH regulation. However, it must comply with standard REACH registration requirements if manufactured or imported in quantities above one tonne per year. Users should maintain safety data sheets, conduct chemical safety assessments where required, and follow good industrial hygiene practices. Always check current regulatory status as classifications may be updated.
Where to buy 5-nitro-2H-benzotriazole in Europe?
5-nitro-2H-benzotriazole is available through OYSI, a European distributor specializing in technical chemicals and pharmaceutical intermediates. OYSI provides reliable supply chains across Europe with proper documentation and regulatory compliance. Contact OYSI's technical sales team for availability, specifications, and delivery options. They can provide certificates of analysis, safety data sheets, and technical support to ensure the product meets your specific application requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.