Coumarin-3-carboxylic acid
- Product NameCoumarin-3-carboxylic acid
- CAS531-81-7
- MFC10H6O4
- MW190.15
- EINECS208-518-0
- MOL File531-81-7.mol
Chemical Properties
| Melting point | 189-192 °C (lit.) |
| Boiling point | 248.82°C (rough estimate) |
| Density | 1.2599 (rough estimate) |
| refractive index | 1.5380 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 13g/l |
| form | Crystalline Powder |
| pka | 1.84±0.20(Predicted) |
| color | Light brown |
| Water Solubility | 13 g/L (37 ºC) |
| λmax | 290nm(Phosphate buffer sol.)(lit.) |
| Merck | 14,2563 |
| BRN | 154276 |
| InChI | 1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12) |
| InChIKey | ACMLKANOGIVEPB-UHFFFAOYSA-N |
| SMILES | OC(=O)C1=Cc2ccccc2OC1=O |
| CAS DataBase Reference | 531-81-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzopyran-3-carboxylic acid, 2h-1-, 2-oxo(531-81-7) |
Safety Information
| Hazard Codes | T,Xi |
| Risk Statements | 25 |
| Safety Statements | 36/37/39-45-28A |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | DJ2490000 |
| F | 8 |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29322090 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |
