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| | Coumarin-3-carboxylic acid Basic information |
| Product Name: | Coumarin-3-carboxylic acid | | Synonyms: | OTAVA-BB BB0125160098;RARECHEM AB KA K006;AKOS BC-1493;JR-8358, Coumarin-3-carboxylic acid, 97%;AURORA 2057;CUMARIN-3-CARBOXYLIC ACID;COUMARIN-3-CARBOXYLIC ACID;2H-1-Benzopyran-3-carboxylic acid, 2-oxo- | | CAS: | 531-81-7 | | MF: | C10H6O4 | | MW: | 190.15 | | EINECS: | 208-518-0 | | Product Categories: | Coumarins;API intermediates | | Mol File: | 531-81-7.mol |  |
| | Coumarin-3-carboxylic acid 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) |
| 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 |
| | Coumarin-3-carboxylic acid Usage And Synthesis |
| Chemical Properties | light brown crystalline powder | | Uses | 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.] |
| | Coumarin-3-carboxylic acid Preparation Products And Raw materials |
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