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7-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin

Catalog Number
ACM41044126-4
CAS Number
41044-12-6
Product Name
7-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin
Structure
Category
Organic Light-Emitting Diode (OLED) Materials; Coumarin Dyes
Synonyms
Coumarin 30; 3-(2-N-Methylbenzimidazolyl)-7-N,N-diethylaminocoumarin
Description
Alfa Chemistry offers high-purity 7-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin 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
7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
Molecular Weight
347.42
Molecular Formula
C21H21N3O2
Canonical SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C
InChI
InChI=1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3
InChI Key
KZFUMWVJJNDGAU-UHFFFAOYSA-N
Boiling Point
225 - 229 °C
Melting Point
221.0 to 225.0 °C
Purity
>98.0%(T)(HPLC)
Density
1.22 ± 0.1 g/ml
Appearance
Light yellow to Yellow to Green powder to crystal
Application
Such coumarin dyes are useful for laser dyes emitting blue-green light. Studies on Luminescent Properties. Studies on Solar Cell Materials
Storage
-20 °C in the dark
Complexity
560
Covalently-Bonded Unit Count
1
EC Number
255-186-8
Exact Mass
347.163377g/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
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
26
MDL Number
MFCD00051349
Monoisotopic Mass
347.163377g/mol
NSC Number
290433
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
4
Signal Word
Warning
Storage Conditions
Store at room temperature and dry
XLogP3
4
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