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Tris(8-Hydroxyquinolinato)Aluminium
CAS: 2085-33-8 | C27H18AlN3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2085-33-8
Molecular Formula:
C27H18AlN3O3
Molecular Mass:
459.44 g/mol
Names and Synonyms:
Tris(8-Hydroxyquinolinato)Aluminium
Aluminum, tris(8-quinolinolato-κN1,κO8)-
Aluminum, tris(8-quinolinolato)-
Aluminum, tris(8-quinolinolato-N1,O8)-
Tris(8-quinolinolato-κN1,κO8)aluminum
Hydroxyquinoline aluminum
Aluminum oxinate
Tris(8-quinolinolato)aluminum
Aluminum 8-hydroxyquinolinate
Tri-8-quinolinolatoaluminum
Tris(8-hydroxyquinolinato)aluminum
Al 8Q
8-Hydroxyquinoline aluminum
Aluminum, tris(8-hydroxyquinolinato)-
Tris(8-quinolinol)aluminum
Tris(8-hydroxyquinolinate)aluminum
Tris(8-hydroxyquinolinol-N1,O8)aluminum
Alq3
Aluminum tris(8-hydroxyquinolinate)
Tris-(8-hydroxyquinoline)aluminum
Tris(8-hydroxyquinolato)aluminum
Tris(8-quinolinolato)aluminum(III)
Aluminum tris(8-quinolinolate)
Alq
LT-E 401
Tris(8-hydroxychinolin)aluminum
Identifiers:
SMILES:
[Al+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
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
Key Properties
Boiling Point
21 °C @ Press: 0.16 Torr
CAS Common Chemistry
Melting Point
413-415 °C (decomp)
CAS Common Chemistry
Density
1.19 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 459.44 g/mol | CAS Common Chemistry |
| 459.44100000000014 g/mol | RDKit | |
| 459.11635506600004 g/mol | RDKit | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.19 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tris(8-hydroxyquinolinato)aluminium | CAS Common Chemistry |
| Boiling Point | 21 °C @ Press: 0.16 Torr | CAS Common Chemistry |
| Canonical SMILES | [O-]1C2=CC=CC=3C=CC=[N](C23)[Al+3]145([O-]C6=CC=CC=7C=CC=[N]4C67)[O-]C8=CC=CC=9C=CC=[N]5C89 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=TVIVIEFSHFOWTE-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 413-415 °C (decomp) | CAS Common Chemistry |
| Name | Tris-(8-hydroxyquinoline)aluminum | CAS Common Chemistry |
| Tris(8-hydroxyquinolinato)aluminium | CAS Common Chemistry | |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 107.85000000000001 Ų | RDKit |
| LogP | 3.544400000000002 | RDKit |
| Molar Refractivity | 129.321 | RDKit |
