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Molecule
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
Identifiers
CAS Registry Number
6925-69-5
SMILES
O=C1c2ccccc2C2=Nc3cccc4cccc(c34)N12
InChI Key
XFYQEBBUVNLYBR-UHFFFAOYSA-N
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
Names and Synonyms
- Solvent Orange 60 Common Name
- 12H-Phthaloperin-12-one Synonym
- 12-Phthaloperinone Synonym
- Aminoplast Orange LFP Synonym
- 10H-Perimidino[2,1-a]isoindol-10-one Synonym
- Phthaloperinone Synonym
- Oplas Orange 230 Synonym
- C.I. Solvent Orange 60 Synonym
- Oracet Orange G Synonym
- Solvent Orange 60 Synonym
- C.I. Solvent Orange 78 Synonym
- Solvent Orange 78 Synonym
- Sumiplast Orange HRP Synonym
- Macrolex Orange 3G Synonym
- Diaresin Orange HS Synonym
- C.I. 564100 Synonym
- Sandoplast Orange 3G Synonym
- C.I. Disperse Orange 24 Synonym
- Disperse Orange 24 Synonym
- KP Plast Orange 8150 Synonym
- KP Plast Orange HG Synonym
- Plast Orange 8150 Synonym
- Oracet Orange 230 Synonym
- 12H-Isoindolo[2,1-a]perimidin-12-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.29 g/mol | CAS Common Chemistry |
| 270.291 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 |
| 32.44 Ų | chempirical lib | |
| LogP | 3.8919000000000024 | RDKit |
| 3.8919 | RDKit | |
| Molar Refractivity | 83.39650000000003 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 270.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 270.29 g/mol. Edit any field — others recompute live.
