CAS 41044-12-6 7-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin

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

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Catalog Number

ACM41044126-4

Product Name

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

Structure

CAS

41044-12-6

Category

Organic Light-Emitting Diode (OLED) Materials

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

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

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

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

Signal Word

Warning

Storage Conditions

Store at room temperature and dry

XLogP3

MSDS

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COA

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Spec Sheet

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