Coumarin-3-carboxylic acid
Synonym(s):2-Oxo-2H-1-benzopyran-3-carboxylic acid
- CAS NO.：531-81-7
- Empirical Formula: C10H6O4
- Molecular Weight: 190.15
- MDL number: MFCD00006852
- EINECS: 208-518-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-17 16:00:36
What is Coumarin-3-carboxylic acid?
Chemical properties
light brown crystalline powder
The Uses of Coumarin-3-carboxylic acid
Coumarin-3-carboxylic acid is used as pharmaceutical intermediate.
Definition
ChEBI: 2-oxo-2H-chromene-3-carboxylic acid is a member of coumarins.
Purification Methods
The acid crystallises from water. [Beilstein 18/8 V 323.]
Properties of Coumarin-3-carboxylic acid
| 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 |
| pka | 1.84±0.20(Predicted) |
| form | Crystalline Powder |
| color | Light brown |
| Water Solubility | 13 g/L (37 ºC) |
| λmax | 290nm(Phosphate buffer sol.)(lit.) |
| Merck | 14,2563 |
| BRN | 154276 |
| 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 for Coumarin-3-carboxylic acid
| Signal word | Danger |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral |
| Precautionary Statement Codes |
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
Computed Descriptors for Coumarin-3-carboxylic acid
| InChIKey | ACMLKANOGIVEPB-UHFFFAOYSA-N |
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