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

NAVIGATION

Coumarin 545T

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Catalog Number

ACM155306711-1

CAS Number

155306-71-1

Product Name

Coumarin 545T

Structure

Category

Organic Light-Emitting Diode (OLED) Materials; Coumarin Dyes

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

Download MSDS

COA

Download COA

Spec Sheet