55804-66-5
| Name | Coumarin 314 |
| CAS | 55804-66-5 |
| EINECS(EC#) | 259-825-1 |
| Molecular Formula | C18H19NO4 |
| MDL Number | MFCD00051334 |
| Molecular Weight | 313.35 |
| MOL File | 55804-66-5.mol |
Chemical Properties
| Appearance | Yellow to orange crystalline powder |
| Melting point | 140-144 °C(lit.) |
| Boiling point | 453.15°C (rough estimate) |
| density | 1.2389 (rough estimate) |
| refractive index | 1.5100 (estimate) |
| storage temp. | room temp |
| form | Crystalline Powder |
| pka | 5.37±0.40(Predicted) |
| color | Yellow |
| ε(extinction coefficient) | ≥39000 at 389-401nm in ethanol at 0.01g/L |
| λmax | 436 nm 437 nm in ethanol |
| Major Application | diagnostic assay manufacturing hematology histology |
| InChI | 1S/C18H19NO4/c1-2-22-17(20)14-10-12-9-11-5-3-7-19-8-4-6-13(15(11)19)16(12)23-18(14)21/h9-10H,2-8H2,1H3 |
| InChIKey | VMJKUPWQKZFFCX-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C1=Cc2cc3CCCN4CCCc(c2OC1=O)c34 |
| EPA Substance Registry System | 1H,5H,11H-[1]Benzopyrano[ 6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, ethyl ester(55804-66-5) |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 29322985 |
| Storage Class | 11 - Combustible Solids |