CAS Number531-81-7
SynonymsEINECS 208-518-0; 2-oxochromene-3-carboxylic acid; Coumarin-3-Carboxylic Acid; MFCD00006852
Molecular FormulaC10H6O4
Molecular Weight190.15
Purity99%
Density1.493g/cm3
Boiling Point388.6ºC at 760mmHg
Melting Point189-192 °C (lit.)
Appearancepowder
EINECS208-518-0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 531-81-7 |
| Catalog No. | 2A-9022572 |
| Chinese Name | 香豆素-3-羧酸 |
| Synonyms | EINECS 208-518-0; 2-oxochromene-3-carboxylic acid; Coumarin-3-Carboxylic Acid; MFCD00006852 |
| Molecular Formula | C10H6O4 |
| Molecular Weight | 190.15 |
| Purity | 99 |
| Density | 1.493g/cm3 |
| Boiling Point | 388.6ºC at 760mmHg |
| Melting Point | 189-192 °C (lit.) |
| Appearance | powder |
| Water Solubility | 13 g/L (37 ºC) |
| Storage Condition | Store in a cool, dry, well-ventilated warehouse. K |
| Packaging | II |
| Application | Coumarin-3-carboxylic acid (2-Oxochromene-3-carboxylic acid) is an important starting compound for the synthesis of coumarin, a natural product with various biological activities. The lanthanide compl |
| EINECS | 208-518-0 |
| HTC | 2932209090 |
| PubChem ID | 24893073 |
| MDL Number | MFCD00006852 |
| SMILES | OC(=O)C1=Cc2ccccc2OC1=O |
| InChI | 1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12) |
| InChI Key | ACMLKANOGIVEPB-UHFFFAOYSA-N |
| Beilstein/REAXYS | 154276 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 6.1 |
| MSDS | msds/22572_1_531_81_7.pdf |
| Bioactivity | Coumarin-3-carboxylic acid (2- Oxochromene-3-carboxylic acid) is an important initial compound for the synthesis of coumarins which are well known natural products for their diverse biological activities. Lanthanide complexes of Coumarin-3-carboxylic acid exhibit antiproliferative activity towards K-562 cell line[1][2]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Others >> Others References [1]. Aimin Song, et al. A convenient synthesis of coumarin-3-carboxylic acids via Knoevenagel condensation of Meldrum's acid with ortho-hydroxyaryl aldehydes or ketones. Tetrahedron Letters. 2003 Feb;44(9): 1755-1758. [2]. Kostova I, et al. New Samarium(III), Gadolinium(III), and Dysprosium(III) Complexes of Coumarin-3-Carboxylic Acid as Antiproliferative Agents. Met Based Drugs. 2007;2007:15925. Chemical & Physical Properties Density 1.493g/cm3 Boiling Point 388.6ºC at 760mmHg Melting Point 189-192 °C(lit.) Molecular Formula C10H6O4 Molecular Weight 190.15200 Flash Point 162.7ºC Exact Mass 190.02700 PSA 67.51000 LogP 1.49120 InChIKey ACMLKANOGIVEPB-UHFFFAOYSA-N SMILES O=C(O)c1cc2ccccc2oc1=O Water Solubility 13 g/L (37 ºC) |
| Use of | Properties Name Coumarin-3-carboxylic acid Synonym More Synonyms Coumarin-3-carboxylic acid Biological Activity Related Catalog Research Areas >> Cancer Signaling Pathways >> Others >> Others References [1]. Aimin Song, et al. A convenient synthesis of coumarin-3-carboxylic acids via Knoevenagel condensation of Meldrum's acid with ortho-hydroxyaryl aldehydes or ketones. Tetrahedron Letters. 2003 Feb;44(9): 1755-1758. [2]. Kostova I, et al. New Samarium(III), Gadolinium(III), and Dysprosium(III) Complexes of Coumarin-3-Carboxylic Acid as Antiproliferative Agents. Met Based Drugs. 2007;2007:15925. Chemical & Physical Properties Molecular Formula C10H6O4 Exact Mass 190.02700 PSA 67.51000 LogP 1.49120 InChIKey ACMLKANOGIVEPB-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (2-Oxo-2H-chromene-3-carboxylic acid) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (2-Oxo-2H-chromene-3-carboxylic acid) International air transport hazard regulations: Toxic solid, organic, n.o.s. (2-Oxo-2H-chromene-3-carboxylic acid) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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