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| | Benzofuran-2-carboxylic acid Basic information |
| | Benzofuran-2-carboxylic acid Chemical Properties |
| 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 | | pka | 3.12±0.30(Predicted) | | form | Crystals or Powder | | color | White to yellow | | Water Solubility | partially soluble | | 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 | | CAS DataBase Reference | 496-41-3(CAS DataBase Reference) | | NIST Chemistry Reference | Benzofuran-2-carboxylic acid(496-41-3) | | EPA Substance Registry System | 2-Benzofurancarboxylic acid (496-41-3) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | RTECS | DF6490000 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29329985 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | | Toxicity | mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02495, |
| | Benzofuran-2-carboxylic acid Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powde | | Uses | Benzofuran-2-carboxylic acid was used in the synthesis of the oxymethyl-modified coumarinic acid-based cyclic DADLE (H-Tyr-D-Ala-Gly-Phe-D-Leu-OH) prodrug. | | Synthesis Reference(s) | Journal of the American Chemical Society, 73, p. 872, 1951 DOI: 10.1021/ja01146a532
Organic Syntheses, Coll. Vol. 3, p. 209, 1955 | | Purification Methods | The acid crystallises from water. [Beilstein 18/6 V 419.] |
| | Benzofuran-2-carboxylic acid Preparation Products And Raw materials |
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