CAS 38215-36-0 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin

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3-(2-Benzothiazolyl)-7-(diethylamino)coumarin

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Catalog Number

ACM38215360-1

Product Name

3-(2-Benzothiazolyl)-7-(diethylamino)coumarin

Structure

CAS

38215-36-0

Category

Electroluminescence Materials

Synonyms

Coumarin 6

Description

Alfa Chemistry offers high-purity 3-(2-Benzothiazolyl)-7-(diethylamino)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

3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one

Molecular Weight

350.44

Molecular Formula

C20H18N2O2S

Canonical SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O2S/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19/h5-12H,3-4H2,1-2H3

InChI Key

VBVAVBCYMYWNOU-UHFFFAOYSA-N

Boiling Point

208 - 210 °C

Melting Point

206.0 to 210.0 °C

Purity

>98.0%(T)(HPLC)

Density

1.1830 g/ml

Solubility

Insoluble in water Soluble in Dimethylformamide,Alcohol

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.

Storage

Stored at +4 °C

Complexity

534

Covalently-Bonded Unit Count

EC Number

253-830-2

Exact Mass

350.108899g/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

MFCD00041869

MeSH Entry Terms

coumarin 6

Monoisotopic Mass

350.108899g/mol

NSC Number

290432

Packaging

1G-Glass Bottle with Plastic Insert (View image)

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

4.9

MSDS

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COA

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Spec Sheet