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Solvent Orange 60
CAS: 6925-69-5 | C18H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6925-69-5
Molecular Formula:
C18H10N2O
Molecular Mass:
270.29 g/mol
Names and Synonyms:
Solvent Orange 60
12H-Phthaloperin-12-one
12-Phthaloperinone
Aminoplast Orange LFP
10H-Perimidino[2,1-a]isoindol-10-one
Phthaloperinone
Oplas Orange 230
C.I. Solvent Orange 60
Oracet Orange G
Solvent Orange 60
C.I. Solvent Orange 78
Solvent Orange 78
Sumiplast Orange HRP
Macrolex Orange 3G
Diaresin Orange HS
C.I. 564100
Sandoplast Orange 3G
C.I. Disperse Orange 24
Disperse Orange 24
KP Plast Orange 8150
KP Plast Orange HG
Plast Orange 8150
Oracet Orange 230
12H-Isoindolo[2,1-a]perimidin-12-one
Identifiers:
SMILES:
O=C1c2ccccc2C2=Nc3cccc4cccc(c34)N12
InChI:
InChI=1S/C18H10N2O/c21-18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(16(11)14)20(17)18/h1-10H
Key Properties
Melting Point
228-230 °C
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 | 270.29 g/mol | CAS Common Chemistry |
| 270.291 g/mol | RDKit | |
| 270.07931294 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C3=NC4=CC=CC=5C=CC=C(C45)N13 | CAS Common Chemistry |
| InChI | InChI=1S/C18H10N2O/c21-18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(16(11)14)20(17)18/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=XFYQEBBUVNLYBR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 228-230 °C | CAS Common Chemistry |
| Name | Solvent Orange 60 | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 32.67 Ų | RDKit |
| LogP | 3.8919000000000024 | RDKit |
| Molar Refractivity | 83.39650000000003 | RDKit |
