2H-1-Benzopyran-3-carboxylic acid, 2-oxo-
Coumarin-3-Carboxylic Acid
CAS: 531-81-7
Molecular Formula: C10H6O4
2H-1-Benzopyran-3-carboxylic acid, 2-oxo- - Names and Identifiers
| Name | Coumarin-3-Carboxylic Acid |
| Synonyms | AURORA 2057 AKOS BC-1493 RARECHEM AB KA K006 OTAVA-BB BB0125160098 CUMARIN-3-CARBOXYLIC ACID COUMARIN-3-CARBOXYLIC ACID Coumarin-3-Carboxylic Acid 2H-1-Benzopyran-3-carboxylic acid, 2-oxo- |
| CAS | 531-81-7 |
| EINECS | 208-518-0 |
| InChIKey | ACMLKANOGIVEPB-UHFFFAOYSA-N |
2H-1-Benzopyran-3-carboxylic acid, 2-oxo- - Physico-chemical Properties
| Molecular Formula | C10H6O4 |
| Molar Mass | 190.15 |
| Density | 1.2599 (rough estimate) |
| Melting Point | 189-192 °C (lit.) |
| Boling Point | 248.82°C (rough estimate) |
| Water Solubility | 13 g/L (37 ºC) |
| Solubility | 13g/l |
| Appearance | Crystalline Powder |
| Color | Light brown |
| Maximum wavelength(λmax) | ['290nm(Phosphate buffer sol.)(lit.)'] |
| Merck | 14,2563 |
| BRN | 154276 |
| pKa | 1.84±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5380 (estimate) |
| MDL | MFCD00006852 |
2H-1-Benzopyran-3-carboxylic acid, 2-oxo- - Risk and Safety
| Risk Codes | 25 - Toxic if swallowed |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S28A - |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | DJ2490000 |
| FLUKA BRAND F CODES | 8 |
| HS Code | 29322090 |
| Hazard Class | 6.1 |
| Packing Group | II |
2H-1-Benzopyran-3-carboxylic acid, 2-oxo- - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| biological activity | Coumarin-3-carboxylic acid (2- Oxochromene-3-carboxylic acid) is an important starting compound for the synthesis of coumarin, which is a natural product with various biological activities. The acid-Coumarin-3-carboxylic lanthanide complex has antiproliferative activity against K-562 cells. |
Last Update：2024-04-09 21:53:21
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