CAS 531-81-7 Coumarin-3-carboxylic Acid - Materials / Alfa Chemistry

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Coumarin Dyes

Coumarin-3-carboxylic Acid

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Catalog Number

ACM531817-1

Product Name

Coumarin-3-carboxylic Acid

Structure

CAS

531-81-7

Category

Coumarin Dyes

Synonyms

2-Oxo-2H-chromene-3-carboxylicacid

Description

Alfa Chemistry offers high-purity Coumarin-3-carboxylic Acid 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

2-oxochromene-3-carboxylicacid

Molecular Weight

190.15

Molecular Formula

C10H6O4

Canonical SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O

InChI

InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)

InChI Key

ACMLKANOGIVEPB-UHFFFAOYSA-N

Boiling Point

248.82 °C

Melting Point

189.0 to 193.0 °C

Purity

>98.0%(GC)(T)

Density

1.2599 g/ml

Solubility

Slightly soluble in water Soluble in Alcohol Insoluble in Ether,Benzene

Appearance

White to Light yellow powder to crystal

Application

Such coumarin dyes are useful for laser dyes emitting blue-green light.

Storage

-20 °C in the dark

Complexity

305

Covalently-Bonded Unit Count

EC Number

208-518-0

Exact Mass

190.026609g/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

Heavy Atom Count

MDL Number

MFCD00006852

MeSH Entry Terms

coumarin-3-carboxylate;coumarin-3-carboxylic acid;potassium coumarin-3-carboxylic acid;sodium coumarin-3-carboxylic acid

Monoisotopic Mass

190.026609g/mol

NSC Number

53239;44926;14797

Rotatable Bond Count

Storage Conditions