6-nitro-1,2,3,4-tetrahydroquinoxaline

C8H9N3O2

CAS41959-35-7
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
41959-35-7
EC Number
414-270-6
UN Number
3077
Index Number
607-390-00-7
PubChem CID
10197942

Physical-chemical properties

Molecular Formula
C8H9N3O2
Molar Mass
179.18 g/mol
IUPAC Name
6-nitro-1,2,3,4-tetrahydroquinoxaline

Chemical Identifiers

InChI
InChI=1S/C8H9N3O2/c12-11(13)6-1-2-7-8(5-6)10-4-3-9-7/h1-2,5,9-10H,3-4H2
InChI Key
ZVDCYZVYRXZJQF-UHFFFAOYSA-N

Overview

6-nitro-1,2,3,4-tetrahydroquinoxaline (CAS 41959-35-7) is a heterocyclic organic compound with nitro functionality and tetrahydroquinoxaline structure. This specialized chemical intermediate belongs to the quinoxaline family, characterized by its bicyclic structure containing nitrogen atoms in both rings. The compound features a nitro group at the 6-position and a partially saturated quinoxaline core, which confers specific reactivity patterns valuable in synthetic chemistry applications. With the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol, this compound exhibits moderate polarity due to its nitrogen-containing heterocyclic framework and electron-withdrawing nitro substituent. The substance is classified under GHS pictograms GHS07 and GHS09, indicating acute toxicity (Category 4) and environmental hazards (Aquatic Chronic 2). Safety protocols require careful handling due to its moderate acute toxicity profile, necessitating appropriate personal protective equipment and controlled storage conditions. The compound falls under ADR Class 9 for transportation purposes, reflecting its classification as a miscellaneous dangerous substance. Industrial applications primarily focus on pharmaceutical intermediate synthesis, where the tetrahydroquinoxaline scaffold serves as a building block for bioactive compounds. The nitro group provides a versatile handle for further chemical modifications, including reduction to amine derivatives or substitution reactions. Additionally, this compound finds use in specialty chemical manufacturing and research applications requiring nitrogen-containing heterocycles. While structurally distinct from compounds like diethyl 2-[(4-ethoxyanilino)methylidene]propanedioate, both serve important roles as synthetic intermediates in pharmaceutical chemistry. OYSI maintains reliable supply chains for 6-nitro-1,2,3,4-tetrahydroquinoxaline, ensuring consistent availability for European customers requiring this specialized heterocyclic compound.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

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

Ingestion

Harmful

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name6-Nitro-1,2,3,4-tetrahydrochinoxalin
Marine PollutantNo

Frequently Asked Questions

What is 6-nitro-1,2,3,4-tetrahydroquinoxaline?

6-nitro-1,2,3,4-tetrahydroquinoxaline is an organic chemical compound with the molecular formula C8H9N3O2 and CAS number 41959-35-7. This substance belongs to the quinoxaline family, characterized by a partially saturated bicyclic structure containing nitrogen atoms. With a molecular weight of 179.18 g/mol, it features a nitro group at position 6 of the quinoxaline ring system. The compound is classified as moderately hazardous with acute toxicity and aquatic chronic toxicity properties.

What are the physicochemical properties of 6-nitro-1,2,3,4-tetrahydroquinoxaline?

6-nitro-1,2,3,4-tetrahydroquinoxaline is a solid organic compound at room temperature with a molecular weight of 179.18 g/mol. The presence of the nitro group typically imparts a yellowish coloration to such compounds. Its chemical structure includes both hydrophilic nitrogen-containing groups and hydrophobic aromatic regions, affecting its solubility profile. The compound's stability and reactivity are influenced by the nitro substituent, which can participate in various chemical reactions under appropriate conditions.

What is 6-nitro-1,2,3,4-tetrahydroquinoxaline used for?

6-nitro-1,2,3,4-tetrahydroquinoxaline is primarily used as an intermediate in pharmaceutical and chemical synthesis. Its quinoxaline structure makes it valuable for developing bioactive compounds, particularly in medicinal chemistry research. The compound serves as a building block for synthesizing more complex molecules with potential therapeutic applications. Additionally, it may be utilized in specialty chemical manufacturing and research applications where its specific structural features are required for targeted chemical transformations or biological studies.

How to handle 6-nitro-1,2,3,4-tetrahydroquinoxaline safely?

6-nitro-1,2,3,4-tetrahydroquinoxaline requires careful handling due to its Acute Tox. 4 classification and Warning signal word. Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and lab coats. Ensure adequate ventilation in work areas and avoid inhalation, skin contact, and ingestion. Handle in a fume hood when possible and minimize dust generation. Keep away from heat sources and incompatible materials. Always wash hands thoroughly after handling and follow standard laboratory safety protocols.

How to store 6-nitro-1,2,3,4-tetrahydroquinoxaline correctly?

6-nitro-1,2,3,4-tetrahydroquinoxaline should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed and properly labeled in accordance with GHS requirements. Store separately from incompatible materials such as strong oxidizers, reducing agents, and bases. The storage area should be equipped with appropriate spill containment measures. Maintain storage temperatures below 25°C and protect from moisture to ensure product stability and prevent degradation of the nitro group.

What to do in case of contact with 6-nitro-1,2,3,4-tetrahydroquinoxaline?

Immediate first aid measures are essential following contact with 6-nitro-1,2,3,4-tetrahydroquinoxaline. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. If swallowed, rinse mouth and seek medical attention. Always consult a physician if symptoms persist or exposure is significant.

How to dispose of 6-nitro-1,2,3,4-tetrahydroquinoxaline appropriately?

6-nitro-1,2,3,4-tetrahydroquinoxaline must be disposed of according to local, national, and international regulations due to its hazard classification. Contact licensed waste disposal companies specialized in chemical waste management. Do not dispose of in regular waste streams or pour down drains due to its Aquatic Chronic 2 classification. The disposal method should consider the nitro group's environmental impact. Maintain proper documentation of waste disposal activities and ensure compliance with REACH and local environmental protection requirements.

How to transport 6-nitro-1,2,3,4-tetrahydroquinoxaline?

6-nitro-1,2,3,4-tetrahydroquinoxaline is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. Use appropriate packaging meeting UN specification requirements for this classification. Ensure proper labeling with GHS pictogrammes GHS07 and GHS09, along with required transport documentation. Vehicles must comply with ADR regulations for Class 9 substances. Drivers should be trained in handling dangerous goods, and emergency response information must be available during transport. Avoid extreme temperatures during shipping.

Is 6-nitro-1,2,3,4-tetrahydroquinoxaline subject to specific regulations?

6-nitro-1,2,3,4-tetrahydroquinoxaline is subject to standard REACH and CLP regulations in Europe but is not classified as an SVHC (Substance of Very High Concern). It must be handled according to its hazard classification (Acute Tox. 4, Aquatic Chronic 2) with appropriate risk management measures. Importers and users must comply with registration requirements under REACH if applicable tonnage thresholds are exceeded. Safety data sheets must be provided following CLP regulation requirements, and workplace exposure limits should be observed.

Where to buy 6-nitro-1,2,3,4-tetrahydroquinoxaline in Europe?

6-nitro-1,2,3,4-tetrahydroquinoxaline is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides quality chemical products with proper documentation, safety data sheets, and regulatory compliance support. As an established chemical distributor, OYSI ensures reliable supply chains and technical support for customers across Europe. Contact OYSI directly for availability, specifications, packaging options, and pricing information. Professional customers can benefit from OYSI's expertise in chemical handling and regulatory requirements for safe procurement and use.

Data Sources

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