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Coumarin 545 | CAS 85642-11-1
| Catalog Number | A17-0114 |
| Category | Laser Dyes |
| Molecular Formula | C22H18N2O2S |
| Molecular Weight | 374.458 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Yellow-green fluorescent coumarin dye with large Stokes shift. Ideal for fluorescence resonance energy transfer (FRET) and laser studies.
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | 10-(2-benzothiazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one |
| Purity | >97.0%(HPLC) |
| IUPAC Name | 5-(1,3-benzothiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one |
| Canonical SMILES | C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)CCCN3C1 |
| InChI | InChI=1S/C22H18N2O2S/c25-22-16(21-23-17-7-1-2-8-18(17)27-21)12-14-11-13-5-3-9-24-10-4-6-15(19(13)24)20(14)26-22/h1-2,7-8,11-12H,3-6,9-10H2 |
| InChIKey | WYZWJLZUSHFFOR-UHFFFAOYSA-N |
| Appearance | Gray to Dark purple to Black powder to crystal |
| Melting Point | 254 °C |
| Storage | Store under inert gas |
| Signal | Warning |
| GHSHazardStatements | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
| Precautionary Statement Codes | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 374.10889899 g/mol |
| Monoisotopic Mass | 374.10889899 g/mol |
| Topological Polar Surface Area | 70.7Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 652 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2021104674-A1 | Compound and organic light-emitting device including the same | 2019-10-08 |
| WO-2020039708-A1 | Organic electroluminescence element | 2018-08-23 |
| EP-3843167-A1 | Organic electroluminescence element | 2018-08-23 |
| US-2021202864-A1 | Organic electroluminescence element | 2018-08-23 |
| US-2021277250-A1 | Aminocoumarin compound, and aminocoumarin compound-containing resin particles | 2017-02-14 |
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