Tris-(8-hydroxyquinoline)aluminum - ≥99.995% metals basis , CAS No.2085-33-8

CAS: 2085-33-8 Cat. No.: T114511 Molecular Weight: 459.43 EC Number: 218-227-0 PubChem CID: 16683111

GRADE & PURITY ≥99.995% metals basis

Synonyms

UNII-6DP9L7516L | Aluminium Oxinate Sputtering Target | Alq3 | Tris-(8-hydroxyquinoline)aluminum | Tris-(8-hydroxyquinoline)aluminum, sublimed grade, 99.995% trace metals basis | Tris-(8-hydroxyquinoline)aluminum, 98% | Tris(8-hydroxyquinolinato)aluminium

Storage

Room temperature

Shipped In

Normal

Overview

Alq3 crystals exist in two isomeric states, meridional and facial isomers. A third isomeric state ( γ) was studied by X-ray diffraction, the δ-Alq3 transforms into γ-form at ~180°C. Mechanism of the Alq3 phosphorescence has been studied.

Specifications

Synonyms

UNII-6DP9L7516L | Aluminium Oxinate Sputtering Target | Alq3 | Tris-(8-hydroxyquinoline)aluminum | Tris-(8-hydroxyquinoline)aluminum, sublimed grade, 99.995% trace metals basis | Tris-(8-hydroxyquinoline)aluminum, 98% | Tris(8-hydroxyquinolinato)aluminium

Specifications & Purity

≥99.995% metals basis

Storage

Room temperature

Shipped In

Normal

Purity

≥99.995% metals basis

Names and Identifiers

• Pubchem Sid: 504768489
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768489
• Canonical Smiles: C1=CC2=C(C(=C1)O[Al](OC3=CC=CC4=C3N=CC=C4)OC5=CC=CC6=C5N=CC=C6)N=CC=C2
• IUPAC Name: tri(quinolin-8-yloxy)alumane
• InChIKey: TVIVIEFSHFOWTE-UHFFFAOYSA-K
• INCHI: 1S/3C9H7NO.Al/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3
• Isomeric SMILES: C1=CC2=C(C(=C1)O[Al](OC3=CC=CC4=C3N=CC=C4)OC5=CC=CC6=C5N=CC=C6)N=CC=C2
• WGK Germany: 3
• RTECS: BD2231000
• PubChem CID: 16683111
• Molecular Weight: 459.43
• Reaxy-Rn: 4163930

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Pyridines and derivatives Benzenoids Heteroaromatic compounds Organic metal salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic metal salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility in chloroform
• Melt Point(°C): >300°C
• Molecular Weight: 459.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 459.116 Da
• Monoisotopic Mass: 459.116 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 571.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3