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Coumarin 314

Catalog Number
ACM55804665-1
CAS Number
55804-66-5
Product Name
Coumarin 314
Structure
Category
Coumarin Dyes; Other Materials
Synonyms
Coumarin 504, Ethyl 2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylate
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.
IUPAC Name
Ethyl4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate
Molecular Weight
313.35
Molecular Formula
C18H19NO4
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
Purity
>98.0%(HPLC)(N)
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
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
Heavy Atom Count
23
MDL Number
MFCD00051334
MeSH Entry Terms
coumarin 314
Monoisotopic Mass
313.131408g/mol
NSC Number
338967
Rotatable Bond Count
3
Storage Conditions
Store at room temperature and dry
UNII
WM5MO60RUO
XLogP3
3.2
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