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Bis(8-Quinolinolato)Copper
CAS: 10380-28-6 | C18H12CuN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10380-28-6
- Molecular Formula
- C18H12CuN2O2
- Molecular Mass
- 351.85 g/mol
Identifiers
CAS Registry Number
10380-28-6
SMILES
[Cu+2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChI Key
YXLXNENXOJSQEI-UHFFFAOYSA-L
InChI
InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2
Names and Synonyms
- Bis(8-Quinolinolato)Copper Common Name
- Copper, bis(8-quinolinolato-κN1,κO8)- Synonym
- Copper, bis(8-quinolinolato)- Synonym
- Copper, bis(8-quinolinolato-N1,O8)- Synonym
- Bis(8-quinolinolato-κN1,κO8)copper Synonym
- Copper 8-hydroxyquinolinate Synonym
- Copper 8-quinolinolate Synonym
- 8-Hydroxyquinoline copper(2+) salt Synonym
- Oxine-copper Synonym
- Quinolate 15 Synonym
- Quinolate 20 Synonym
- Copper oxyquinoline Synonym
- Copper quinolate Synonym
- Copper oxinate Synonym
- Copper oxyquinolate Synonym
- Cupric 8-quinolinolate Synonym
- 8-Hydroxyquinoline copper salt Synonym
- Copper 8-hydroxyquinoline Synonym
- Quinolate Synonym
- Milmer 1 Synonym
- Copper 8-quinolinol Synonym
- Copper 8-hydroxyquinolate Synonym
- Bis(8-quinolinolato)copper Synonym
- Copper hydroxyquinolinate Synonym
- Copper quinolinolate Synonym
- Copper 8-quinolate Synonym
- Copper(2+) oxinate Synonym
- Copper hydroxyquinolate Synonym
- Bis(8-oxyquinoline)copper Synonym
- Cupric 8-hydroxyquinolate Synonym
- Copper-oxine Synonym
- Cuproquin Synonym
- Bis(8-hydroxyquinolinato)copper Synonym
- Copper bis(8-hydroxyquinolinate) Synonym
- Copper 8-quinolinolate (1:2) Synonym
- Cunilate 2174 Synonym
- Copper dioxinate Synonym
- Fennotox 45 Synonym
- Cunilate 2419 Synonym
- Cuprinol Dispersion AQ Synonym
- Timtex AQS Synonym
- Timtex 17 Synonym
- Timtex Synonym
- PQ 8 Synonym
- Nylate 10 Synonym
- Cunilate 2419-75 Synonym
- Cu 8Q Synonym
- Quin 20 Synonym
- Yukilate CD 50 Synonym
- PQ 57 Synonym
- PQ 357 Synonym
- Arbrex 805 Synonym
- Oxidong Synonym
- Penetraat Synonym
- Cu 8 Synonym
- Betaxate Synonym
- Bioquin Synonym
- PEI 273 Synonym
- PQ 8 (fungicide) Synonym
- Copper Clear Synonym
- Copper(II) oxinate Synonym
- NSC 7720 Synonym
- CUPRIC 8-OXYQUINOLINE Synonym
- Bis(8-quinolinolato)copper(II) Synonym
- Oxyquinoline copper Synonym
- Copper(II) bis(8-quinolinolate) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 351.85 g/mol | CAS Common Chemistry |
| 351.8520000000001 g/mol | RDKit | |
| 351.852 g/mol | RDKit | |
| 354.876 g/mol | chempirical lib | |
| Density | 1.63 g/cm³ | CAS Common Chemistry |
| 1.63 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [O-]1C2=CC=CC=3C=CC=[N](C23)[Cu+2]14[O-]C5=CC=CC=6C=CC=[N]4C56 | CAS Common Chemistry |
| InChI | InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=YXLXNENXOJSQEI-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | >270 °C (decomp) | CAS Common Chemistry |
| Name | Bis(8-quinolinolato)copper | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 71.9 Ų | RDKit |
| LogP | 2.6143 | RDKit |
| Molar Refractivity | 82.37800000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 351.01947512400005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
