Chemical Properties
| Melting point | 270-272 °C(lit.) |
| Boiling point | 334.28°C (rough estimate) |
| Density | 1.3075 (rough estimate) |
| refractive index | 1.5270 (estimate) |
| storage temp. | Store at -20°C |
| solubility | Water:62.5(Max Conc. mg/mL);316.95(Max Conc. mM) |
| pka | 2.24±0.20(Predicted) |
| form | Powder |
| color | Off-white |
| Odor | Odorless |
| Water Solubility | Soluble in water, 0.5M dilute hydrochloric acid and formic acid. Insoluble in ethanol, benzene, chloroform and ethyl acetate. |
| Merck | 14,3420 |
| BRN | 3204800 |
| InChI | 1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14) |
| InChIKey | WTDRDQBEARUVNC-UHFFFAOYSA-N |
| SMILES | NC(Cc1ccc(O)c(O)c1)C(O)=O |
| CAS DataBase Reference | 63-84-3(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| RTECS | AY5250000 |
| HS Code | 2922500090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
