HuagongsheHuagongshe Chemistry Print Report · For research reference only
Diarylide Yellow
YELLOW 13 · Pigment Yellow 13 · C.I. Pigment Yellow 13 · Pigment yellow 13 (C.I. 21100) · KI205 · huangfen · C.I. 21100 · C.I.P.Y.13
Identifiers & Physical Properties
| CAS No. | 5102-83-0 |
|---|---|
| Molecular formula | C36H34Cl2N6O4 |
| Average molar mass | 685.6 g/mol |
| Monoisotopic mass | 684.201859 g/mol |
| SMILES | CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1C |
| InChIKey | IAFBRPFISOTXSO-UHFFFAOYSA-N |
| PubChem CID | 73462 |
Chemical & Physical Properties
| XLogP | 9.5 |
|---|---|
| Topological polar surface area | 142 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 11 |
| Heavy atoms | 48 |
| Formal charge | 0 |
| Complexity | 1,110 |
| Melting point | 312-320°C |
| Boiling point | 799.5±60.0 °C(Predicted) |
| Density | 1.29 |
| Refractive index | 1.7350 (estimate) |
| pKa (acidity coefficient) | 0.72±0.59(Predicted) |
| Physical state | Solid:nanomaterial |
| Solubility | <0.1 g/100 mL at 22 ºC |
| Cosmetics Ingredients Functions | COLORANTHAIR DYEING |
| LogP (partition coefficient) | 1.8 at 24℃ and pH7 |
| CAS DataBase Reference | 5102-83-0(CAS DataBase Reference) |
| EWG's Food Scores | 2-5 |
| FDA UNII | O8RYS681QI |
| EPA Substance Registry System | C.I. Pigment Yellow 13 (5102-83-0) |
| TSCA inventory status | TSCA listed |
| REACH registrations | Active |
Safety & Regulations
| TSCA inventory status | TSCA listed |
|---|---|
| REACH registrations | Active |
Applications & Uses
Uses
Pigment yellow 13 (CAS# 5102-83-0) is a pigment used as a color stabilizer of wood flour/polypropylene composites.