8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C33H25N3O3

CAS991-42-4
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
Warning

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Identification

CAS Number
991-42-4
EC Number
213-589-6
UN Number
2588
Index Number
650-004-00-7
PubChem CID
13814

Physical-chemical properties

Molecular Formula
C33H25N3O3
Molar Mass
511.60 g/mol
IUPAC Name
8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Chemical Identifiers

InChI
InChI=1S/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)
InChI Key
DNTHHIVFNQZZRD-UHFFFAOYSA-N

Overview

8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CAS 991-42-4) is a complex tricyclic organic compound with multiple aromatic ring systems and hydroxyl functionality. This sophisticated chemical compound features a unique azatricyclo structure incorporating pyridine and phenyl moieties, making it a valuable intermediate in advanced organic synthesis applications. With the molecular formula C33H25N3O3 and a molecular weight of 511.6 g/mol, this substance belongs to the category of polycyclic aromatic nitrogen-containing compounds. The European Commission has assigned it the EC number 213-589-6, confirming its regulatory status for commercial distribution within the EU market. From a safety perspective, this compound is classified under the GHS system as Acute Tox. 4 with the warning signal word, requiring appropriate handling protocols. The GHS07 pictogram indicates potential health hazards, and its ADR classification as Class 6.1 designates it as a toxic substance for transportation purposes. These safety characteristics necessitate proper storage conditions and trained personnel for handling operations. The compound's complex molecular architecture makes it particularly valuable in pharmaceutical research and specialty chemical manufacturing. Its tricyclic framework with multiple nitrogen-containing heterocycles positions it as an important building block for developing advanced materials and potential bioactive molecules. Industrial applications typically include use as a synthetic intermediate in fine chemical production and as a research compound in academic and pharmaceutical laboratories. Unlike simpler compounds such as triethyl phosphate, this molecule's sophisticated structure enables highly specialized applications in cutting-edge chemical research. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial and research customers.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

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 Number2588
ADR Class6.1
Packing GroupI
Tunnel CodeC/E
Proper Shipping NameNorbormid (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?

8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is a complex organic compound with CAS number 991-42-4 and molecular formula C33H25N3O3. This tricyclic molecule has a molecular weight of 511.6 g/mol and contains multiple aromatic rings including pyridine and phenyl groups. It is classified as a hazardous substance with acute toxicity properties and requires careful handling in industrial applications.

What are the physicochemical properties of 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?

This compound is a solid organic substance with a molecular weight of 511.6 g/mol and formula C33H25N3O3. The molecule contains multiple aromatic systems including phenyl and pyridine rings, along with hydroxyl and carbonyl functional groups. Due to its complex structure with extensive conjugated systems, it likely exhibits limited water solubility but may be soluble in organic solvents. The exact physical appearance, odor, and specific solubility parameters would require detailed characterization studies.

What is 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione used for?

This compound is typically used in specialized chemical research and development applications due to its complex molecular structure. Given its tricyclic framework with multiple aromatic systems and functional groups, it may serve as an intermediate in pharmaceutical synthesis, materials science research, or as a specialized reagent in organic chemistry. Its specific applications would depend on its unique chemical properties and reactivity profile, making it valuable for industries requiring advanced chemical intermediates.

How to safely handle 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?

This compound must be handled with caution due to its Acute Tox. 4 classification and GHS07 pictogram. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation exposure. Avoid skin and eye contact, and prevent ingestion. Follow proper laboratory hygiene practices, including thorough hand washing after handling. The 'Warning' signal word indicates moderate hazard levels requiring standard chemical safety protocols.

How to properly store 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?

This compound should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly sealed to prevent moisture absorption and contamination. Store separately from incompatible materials such as strong oxidizers, acids, or bases. Due to its toxic classification, maintain secure storage with restricted access and proper labeling. Regular inventory checks and temperature monitoring are recommended to ensure product integrity and safety compliance throughout the storage period.

What to do in case of contact with 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?

In case of skin contact, 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 15-20 minutes and remove contact lenses if present. If inhaled, move the person to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. In all cases of exposure, contact emergency services or poison control if symptoms develop or persist.

How to properly dispose of 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?

This compound must be disposed of as hazardous chemical waste through licensed waste management companies in accordance with local and EU regulations. Do not discharge into drains, waterways, or soil due to its toxic classification. Collect waste in appropriate containers, properly labeled with contents and hazard information. Contact certified hazardous waste disposal services for collection and treatment. Follow all applicable waste codes and documentation requirements under the European Waste Framework Directive and local environmental regulations.

How to transport 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?

This compound is classified under ADR Class 6.1 (Toxic substances), Packing Group I, indicating high toxicity requiring strict transport regulations. Use UN-approved packaging suitable for Packing Group I toxic substances. Ensure proper labeling with Class 6.1 toxic labels and correct shipping documentation. Transport must comply with ADR requirements including driver training, vehicle marking, and emergency procedures. Only authorized carriers with appropriate permits should handle shipment, following all dangerous goods transport protocols for maximum safety.

Is 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione subject to specific regulations?

This compound is subject to standard EU chemical regulations including REACH registration requirements and CLP classification as Acute Tox. 4 with Warning signal word and GHS07 pictogram. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with occupational health and safety regulations, proper labeling requirements, and safety data sheet provisions. Transport is regulated under ADR Class 6.1, requiring compliance with dangerous goods transportation rules throughout the European Union.

Where to buy 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione in Europe?

OYSI is a reliable European distributor offering this specialized compound to qualified industrial and research customers. As an established chemical supplier, OYSI ensures proper handling, documentation, and compliance with all relevant safety and transport regulations. Contact OYSI directly for availability, technical specifications, and pricing information. All shipments include proper safety data sheets and regulatory documentation required for this Acute Tox. 4 classified substance, ensuring safe delivery and compliance with European chemical regulations.

Services for 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

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8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione 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.