COUMESTROL
- Product NameCOUMESTROL
- CAS479-13-0
- CBNumberCB2339816
- MFC15H8O5
- MW268.22
- EINECS207-525-6
- MDL NumberMFCD00016885
- MOL File479-13-0.mol
- MSDS FileSDS
Chemical Properties
| Melting point | ≥350 °C(lit.) |
| Boiling point | 331.39°C (rough estimate) |
| Density | 1.2586 (rough estimate) |
| refractive index | 1.7680 (estimate) |
| storage temp. | Refrigerator |
| solubility | DMSO: soluble |
| form | Light beige solid. |
| pka | 8.25±0.20(Predicted) |
| color | Pale Yellow to Dark Brown |
| BRN | 266702 |
| InChI | InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H |
| InChIKey | ZZIALNLLNHEQPJ-UHFFFAOYSA-N |
| SMILES | C1(=O)OC2=CC(O)=CC=C2C2OC3=CC(O)=CC=C3C1=2 |
| LogP | 2.940 (est) |
| CAS DataBase Reference | 479-13-0(CAS DataBase Reference) |
| NCI Dictionary of Cancer Terms | coumestrol |
| FDA UNII | V7NW98OB34 |
| EPA Substance Registry System | Coumestrol (479-13-0) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22-36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DF8077000 | |||||||||
| F | 10 | |||||||||
| TSCA | TSCA listed | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 | |||||||||
| NFPA 704: |
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