496-41-3
| Name | Benzofuran-2-carboxylic acid |
| CAS | 496-41-3 |
| EINECS(EC#) | 207-818-9 |
| Molecular Formula | C9H6O3 |
| MDL Number | MFCD00005848 |
| Molecular Weight | 162.14 |
| MOL File | 496-41-3.mol |
Chemical Properties
| Appearance | white to light yellow crystal powde |
| Melting point | 193-196 °C (lit.) |
| Boiling point | 310-315°C |
| density | 1.2599 (rough estimate) |
| refractive index | 1.5380 (estimate) |
| Fp | 310-315°C |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | soluble in Methanol,Ethanol,Acetone |
| form | Crystals or Powder |
| pka | 3.12±0.30(Predicted) |
| color | White to yellow |
| Water Solubility | partially soluble |
| Detection Methods | HPLC,NMR,MS |
| Merck | 14,2561 |
| BRN | 124204 |
| InChI | 1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11) |
| InChIKey | OFFSPAZVIVZPHU-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cc2ccccc2o1 |
| LogP | 2.410 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | DF6490000 |
| Hazard Note | Irritant |
| TSCA | Yes |
| HazardClass | IRRITANT |
| HS Code | 29321900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity |