HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Naphthalenol, 1,1'-((phenylmethylene)bis((2-methoxy-4,1-phenylene)-2,1-diazenediyl))bis-
S.R18 · C.I.21260 · Oil Red TR · Oil Red TR-71 · SPECIAL RED 3R · C.I. Solvent Red 18 · Solvent red 18 (C.I. 21260) · C.I.Solvent Red 18:C.I.21260
Identifiers & Physical Properties
| CAS No. | 6483-64-3 |
|---|---|
| Molecular formula | C41H32N4O4 |
| Average molar mass | 644.7 g/mol |
| Monoisotopic mass | 644.24235551 g/mol |
| SMILES | COc1cc(C(c2ccccc2)c2ccc(N=Nc3c(O)ccc4ccccc34)c(OC)c2)ccc1N=Nc1c(O)ccc2ccccc12 |
| InChIKey | ICECDSOIPJGLDP-UHFFFAOYSA-N |
| PubChem CID | 80974 |
Chemical & Physical Properties
| XLogP | 10.6 |
|---|---|
| Topological polar surface area | 108 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 9 |
| Heavy atoms | 49 |
| Formal charge | 0 |
| Complexity | 1,010 |
| Boiling point | 674.59°C (rough estimate) |
| Density | 1.1840 (rough estimate) |
| Refractive index | 1.6000 (estimate) |
| pKa (acidity coefficient) | 13.31±0.50(Predicted) |
| FDA UNII | 11030I5W3R |
| EPA Substance Registry System | 2-Naphthalenol, 1,1'-[(phenylmethylene)bis[(2-methoxy-4,1-phenylene)azo]]bis- (6483-64-3) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H319-H302 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P |
| TSCA inventory status | TSCA listed |
Safety & Regulations
| TSCA inventory status | TSCA listed |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H319-H302 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P |
Preparation & Synthesis
Preparation
4,4′-Diamino-3,3′-dimethoxytriphenylmethane double nitrogen, and Naphthalen-2-ol (2 Moore) coupling.