Coumarin 314

• CAS: 55804-66-5
• Catalog Number: ACM55804665-1
• Category: Other Products
• Molecular Weight: 313.35
• Molecular Formula: C18H19NO4
• Description: Alfa Chemistry offers high-purity Coumarin 314 products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.
• Synonyms: Coumarin 504, Ethyl 2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylate
• IUPAC Name: Ethyl4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate
• Canonical SMILES: CCOC(=O)C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3
• InChI: 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
• InChI Key: VMJKUPWQKZFFCX-UHFFFAOYSA-N
• Boiling Point: 453.15 °C
• Melting Point: 148.0 to 152.0 °C
• Density: 1.2389 g/ml
• Appearance: Light yellow to Yellow to Orange powder to crystal
• Application: Such coumarin dyes are useful for laser dyes emitting blue-green light. Fluorescent Dye (λmax, ex=437 nm, λmax, em=478 nm)
• Storage: -20 °C in the dark
• Absorption Wavelength: (max.) 463(EtOH) nm
• Complexity: 543
• Covalently-Bonded Unit Count: 1
• EC Number: 259-825-1
• Exact Mass: 313.131408g/mol
• Features And Benefits: Coumarins are aromatic lactone compounds, many of which are found in natural plants. Coumarin compounds having an electron donating group at the 7-position show strong light absorption and emission, whereas unsubstituted coumarin compounds hardly emit light. This is because intramolecular charge transfer occurs when both electron-donating and electron-withdrawing groups are present in the coumarin molecule. The introduction of groups at the 3- or 4-position largely controls the wavelength of light absorption and emission. Furthermore, the introduction of electron-withdrawing groups at these positions can enhance the luminescence intensity.
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 23
• MDL Number: MFCD00051334
• Monoisotopic Mass: 313.131408g/mol
• NSC Number: 338967
• Physical State: (20 deg.C) Solid
• Rotatable Bond Count: 3
• Storage Conditions: Store at room temperature and dry
• UNII: WM5MO60RUO
• XLogP3: 3.2