CAS 155306-71-1 Coumarin 545T - Materials / Alfa Chemistry

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Organic Light-Emitting Diode (OLED) Materials

Coumarin 545T

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Catalog Number

ACM155306711-1

Product Name

Coumarin 545T

Structure

CAS

155306-71-1

Category

Organic Light-Emitting Diode (OLED) Materials

Synonyms

10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one

Description

Alfa Chemistry offers high-purity Coumarin 545T 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

5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one

Molecular Weight

430.57

Molecular Formula

C26H26N2O2S

Canonical SMILES

CC1(CCN2CCC(C3=C4C(=CC1=C32)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)(C)C)C

InChI

InChI=1S/C26H26N2O2S/c1-25(2)9-11-28-12-10-26(3,4)20-21(28)17(25)14-15-13-16(24(29)30-22(15)20)23-27-18-7-5-6-8-19(18)31-23/h5-8,13-14H,9-12H2,1-4H3

InChI Key

MSDMPJCOOXURQD-UHFFFAOYSA-N

Melting Point

228.0 to 234.0 °C

Purity

>98.0%(N)

Appearance

Light yellow to Brown powder to crystal

Application

Such coumarin dyes are useful for laser dyes emitting blue-green light. Organic Photovoltaic (OPV) Material. Organic Electroluminescent Material

Complexity

792

Covalently-Bonded Unit Count

Exact Mass

430.171499g/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

MFCD03427187

Monoisotopic Mass

430.171499g/mol

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

6.7

MSDS

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COA

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Spec Sheet