2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

C34H49N13O3

CAS98809-11-1
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
98809-11-1
EC Number
407-680-1
UN Number
3077
Index Number
611-041-00-4
PubChem CID
57357165

Physical-chemical properties

Molecular Formula
C34H49N13O3
Molar Mass
687.80 g/mol
IUPAC Name
2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

Chemical Identifiers

InChI
InChI=1S/C34H49N13O3/c1-6-46(7-2)20-10-18-35-31-41-32(36-19-11-21-47(8-3)9-4)43-33(42-31)38-24-12-14-25(15-13-24)44-45-29(23(5)48)30(49)37-26-16-17-27-28(22-26)40-34(50)39-27/h12-17,22,29H,6-11,18-21H2,1-5H3,(H,37,49)(H2,39,40,50)(H3,35,36,38,41,42,43)
InChI Key
XNZJIECTWUBCJT-UHFFFAOYSA-N

Overview

2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (CAS 98809-11-1) is a complex triazine-based azo compound with specialized colorant and optical properties. This sophisticated organic molecule represents a highly engineered chemical structure combining multiple functional groups including triazine rings, diethylamino substituents, and benzimidazole moieties. With a molecular formula of C34H49N13O3 and molecular weight of 687.8 g/mol, this compound demonstrates the complexity achievable in modern specialty chemical synthesis. The presence of multiple nitrogen-containing heterocycles and extended conjugated systems contributes to its unique optical and chemical characteristics. The compound is classified under ADR Class 9 miscellaneous dangerous goods and carries significant safety considerations. It presents Eye Dam. 1 hazards requiring immediate attention to prevent serious eye damage, while its Skin Sens. 1 classification indicates potential for allergic skin reactions upon contact. Environmental considerations include Aquatic Chronic 2 classification, necessitating careful handling to prevent aquatic ecosystem contamination. The GHS05, GHS07, and GHS09 pictograms with "Danger" signal word emphasize the importance of proper protective equipment and handling procedures. Industrial applications typically leverage the compound's chromophoric properties in advanced colorant systems and specialized optical applications. The triazine core structure provides excellent stability and reactivity control, making it valuable in high-performance coating formulations and technical textile applications. Unlike simpler aromatic compounds such as lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate, this molecule offers enhanced functionality through its multiple reactive sites. OYSI maintains reliable supply chains for this specialized chemical, supporting European industrial customers with comprehensive technical documentation and regulatory compliance support for demanding applications requiring consistent quality and performance standards.

Safety & Classification

Danger
Classification:

Eye Dam. 1; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H318

Causes serious eye damage.

H317

May cause an allergic skin reaction.

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

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:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name2-[[4[[4,6-Bis[[3-(diethylamino)-propyl]amino]-1,3,5-triazin-2-yl]-amino]phenyl]azo]-N-(2,3-dihydro-2-oxo-1H-benzinidazol-5-yl)-3-oxo-butanamid
Marine PollutantNo

Frequently Asked Questions

What is 2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?

2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is a complex organic compound with CAS number 98809-11-1. This substance features a molecular formula of C34H49N13O3 and a molecular weight of 687.8 g/mol. The compound contains triazine, diazenyl, and benzimidazole functional groups, indicating its sophisticated chemical structure designed for specific industrial applications requiring these particular molecular characteristics.

What are the physicochemical properties of 2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?

The compound exhibits specific physicochemical characteristics based on its molecular structure C34H49N13O3 with a molecular weight of 687.8 g/mol. The presence of multiple nitrogen-containing heterocycles and aliphatic amine groups suggests moderate to high polarity. The compound's large molecular size and multiple functional groups indicate it likely exists as a solid at room temperature with limited water solubility but potential solubility in organic solvents, though specific experimental data would be required for precise determination.

What is 2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide used for?

This compound is primarily utilized in specialized chemical applications requiring its unique triazine-diazenyl-benzimidazole structure. The presence of diethylamino groups and triazine rings suggests potential use in advanced materials, pharmaceutical intermediates, or specialty chemical synthesis. The complex molecular architecture indicates applications in research and development, potentially as a building block for more complex molecules or as a functional component in specialized industrial processes requiring these specific chemical functionalities.

How to safely handle 2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?

Safe handling requires appropriate personal protective equipment due to its Eye Dam. 1 and Skin Sens. 1 classifications. Wear chemical-resistant gloves, safety goggles or face shield, and protective clothing to prevent skin contact. Ensure adequate ventilation in work areas and avoid creating dust or aerosols. The compound can cause serious eye damage and skin sensitization, so immediate removal of contaminated clothing and thorough washing of exposed skin areas is essential.

How to properly store 2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?

The compound should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and properly labeled according to GHS requirements. Due to its classification as Eye Dam. 1 and Skin Sens. 1, storage areas should be restricted to authorized personnel only. Avoid exposure to extreme temperatures, moisture, and direct sunlight. Implement appropriate containment measures to prevent environmental release, considering its Aquatic Chronic 2 classification.

What to do in case of contact with 2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?

Immediate medical attention is required due to the compound's Eye Dam. 1 classification. For eye contact, rinse immediately with plenty of water for at least 15 minutes and seek medical care immediately. For skin contact, remove contaminated clothing and wash affected areas thoroughly with soap and water. If inhaled, move to fresh air immediately. The substance can cause skin sensitization, so monitor for allergic reactions and seek medical advice if symptoms develop.

How to properly dispose of 2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?

Disposal must comply with local, national, and EU waste regulations, considering its Aquatic Chronic 2 classification. The substance should be treated as hazardous waste and disposed of through licensed waste management facilities. Avoid discharge to waterways or soil due to environmental concerns. Incineration at authorized facilities under controlled conditions may be appropriate. Always consult local environmental authorities and follow proper waste classification procedures according to the European Waste Catalogue.

How to transport 2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?

The compound is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating it requires special transport considerations. Packages must be properly labeled with appropriate hazard markings and accompanied by proper shipping documentation. Use approved packaging suitable for Class 9 substances and ensure compliance with ADR regulations for European transport. Transport vehicles should carry appropriate emergency equipment and drivers must hold valid dangerous goods training certificates.

Is 2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide subject to specific regulations?

The compound is subject to CLP regulation for classification and labeling, requiring GHS05, GHS07, and GHS09 pictograms with 'Danger' signal word. It falls under REACH regulation but is not currently listed as an SVHC (Substance of Very High Concern). Transport is regulated under ADR as Class 9 dangerous goods. Users must comply with occupational safety regulations due to its eye damage and skin sensitization properties, and environmental regulations concerning its aquatic toxicity classification.

Where to buy 2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound. As an established chemical distributor, OYSI can provide proper documentation, safety data sheets, and ensure compliance with European regulations including REACH and CLP requirements. Contact OYSI directly for availability, technical specifications, and regulatory compliance information. Their expertise in handling complex chemical substances ensures proper packaging, labeling, and transport according to ADR Class 9 requirements for safe delivery across Europe.

Services for 2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

ADR Consulting for 2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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