Aluminium tri(quinolin-8-olate)

HCID 90594

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Basic information

CAS: 2085-33-8
Standard SMILES: [Al+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIKey: TVIVIEFSHFOWTE-UHFFFAOYSA-K
Molecular formula: C27H18AlN3O3
Average molar mass: 459.4 g/mol
Monoisotopic mass: 459.11635507

Overview

See also: Tris-(8-hydroxyquinoline)aluminum (preferred).

Names & identifiers

Preferred name: Aluminium tri(quinolin-8-olate)
IUPAC: aluminum tris(quinolin-8-olate)
English name: 8-Hydroxyquinoline aluminum salt
Molecular formula: C27H18AlN3O3
Molecular weight: 459.43

Names & synonyms

Aluminium tri(quinolin-8-olate)aluminum triquinolin-8-olatealuminum;quinolin-8-olate24731-66-6Tris(8-quinolinolato)aluminumAluminum Tris(8-hydroxyquinolinate)EINECS 246-437-2C27H18AlN3O38-hydroxyquinoline aluminumaluminumtriquinolin-8-olateSCHEMBL61235SCHEMBL30010853

Show more names

ALQ3ALQTris(8-hydroxyquinoline)aluminumTris(8-hydroxyquinolinato)aluminumAlq3 , Tris(8-quinolinolato)aluMinuM8-Hydroxyquinoline aluminum salt ISO 9001：2015 REACH8-Hydroxyquinoline aluminum salt, Alq3, Aluminum 8-hydroxyquinolinate, Aluminum oxinate, Tris-(8-hydroxyquinolinato)aluminumine)aLALQ3, SUBLIMED

NSC 82407AKOS015914981SB73132TRIS(8-QUINOLINOLATO)ALUMINUM(III)NS00081780ALUMINUM TRIS(8-HYDROXYQUINOLINE) [MI]F554965Q418564

Database identifiers

CAS: 2085-33-8、24731-66-6
PubChem CID: 90594
DTXSID: DTXSID201027201
UNII: 6DP9L7516L
EC Number: 246-437-2
Nikkaji: J286.386C

Properties

Computed structural properties

Topological polar surface area: 108 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 34
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 300 °C · >300 °C(lit.)
Boiling point: 21 °C · 21 °C(Press: 0.16 Torr)
Density: 1.19 g/cm3 · 1.19 g/cm3
storage temp.: 2 · 2-8°C, sealed storage, away from moisture
solubility: Solubility in chloroform
form: powder to crystal
color: Light yellow to Amber to Dark green
λmax: 259 nm · 259 nm
Hydrolytic Sensitivity: 4 · 4: no reaction with water under neutral conditions
Merck: 14 · 14,370
Exposure limits: 1 mg/m3 · ACGIH: TWA 1 mg/m3
InChI: 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
InChIKey: TVIVIEFSHFOWTE-UHFFFAOYSA-K
SMILES: C12N=CC=CC=1C=CC=C2O[Al](OC1C=CC=C2C=CC=NC=12)OC1C=CC=C2C=CC=NC=12
CAS DataBase Reference: 2085 · 2085-33-8(CAS DataBase Reference)
FDA UNII: 6 DP9L7516L · 6DP9L7516L
Absorption: 259 nm · λmax 259 nm (in THF)
UNSPSC Code: 12352103 · 12352103
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 2231000 · BD2231000
TSCA: No
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: No
rtecs: BD2231000
hs_code: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 4 items

DescriptionTris(8-hydroxyquinoline)aluminum(III) is an OLEDs intermidate which has high thermal stability, high quantum yield of fluorescence and high electron-transport ability.

UsesTris(8-hydroxychinolin)aluminum, is a key green-light emitting and electron transport material for OLEDs.

UsesIn OLEDs as an electron transport and/or light emitting layer.

General DescriptionTris(8-hydroxyquinoline)aluminum(III)(Alq3) is a key green-light emitting and electron transport material for OLEDs. A study reports the new crystalline phase d besides its, originally known, three other crystalline phases, α,β,γ. It exhibits excellent chemical stability and high luminescence efficiencies.