HuagongsheHuagongshe Chemistry Print Report · For research reference only
Naphthalic acid
NAPHTHALENE-1,8-DICARBOXYLIC ACID · NSC 37065 · AKOS 237-43 · Einecs 208-247-8 · 1,8-Naphthalic acid · RARECHEM AL BE 0743 · 1,8-Naphthalenedicarboxylicacid
Identifiers & Physical Properties
| CAS No. | 518-05-8 |
|---|---|
| Molecular formula | C12H8O4 |
| Average molar mass | 216.19 g/mol |
| Monoisotopic mass | 216.04225874 g/mol |
| SMILES | O=C(O)c1cccc2cccc(C(=O)O)c12 |
| InChIKey | HRRDCWDFRIJIQZ-UHFFFAOYSA-N |
| PubChem CID | 68204 |
| EC No. | 208-247-8 |
| DTXSID | DTXSID90199730 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 74.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 271 |
| Melting point | 270° |
| Boiling point | 316.6°C (rough estimate) |
| Density | 1.3023 (rough estimate) |
| Refractive index | 1.7080 (estimate) |
| pKa (acidity coefficient) | 2.25±0.10(Predicted) |
| FDA UNII | U1T26YEW8C |
Applications & Uses
Uses
1,8-NAPHTHALIC ACID is used as an intermediate in dye pesticides.