Coumarin 7 | CAS No. 12239-58-6

Coumarin 7

Basic Information

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CAS Number

12239-58-6

Molecular Formula

C20H19N3O2

Molecular Weight

333.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

602.3 °C at 760 mmHg

Density

1.302

Flash Point

318 °C

SMILES

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CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)

InChIKey

GOLORTLGFDVFDW-UHFFFAOYSA-N

LogP

4.182500000000003

Topological Polar Surface Area

62.13 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

531

Synonyms & References

English

3-(1H-benzo[d]imidazol-2-yl)-7-(diethylamino)-2H-chromen-2-one
SMR000103015
VX3Q255SG5
Sumikaron Brilliant Flavine S 10G
W-110701
KUC105942
3-(2-Benzimidazolyl)-7-(diethylamino)coumarin
12239-58-6
3-(2'-Benzimidazolyl)-7-(diethylamino)coumarin
BRD-K85676811-001-08-2
3-(1H-Benzimidazol-2-yl)-7-(diethylamino)-2H-1-benzopyran-2-one
HY-125750
Oprea1_440779
D820 Savannah Yellow
3-(1H-Benzimidazol-2-yl)-7-(diethylamino)-2H-chromen-2-one
KSC-16-133
CHEMBL374632
3-(1H-Benzoimidazol-2-yl)-7-diethylamino-chromen-2-one
FT-0624079
3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one
HMS1394I09
3-(1H-Benzimidazol-2-yl)-7-(diethylamino)-2-benzopyrone
HMS2467L12
SR-01000389310
Yellow 8GFF
NS00020502
CID 94381
SCHEMBL180716
DISPERSE YELLOW 82
MFCD00051348
3-(1H-Benzimidazol-2-yl)-7-(diethylamino)-2H-chromen-2-one #

MDL Number

MFCD00051348

Customs Code

3204110000

FAQ

What are the physical and chemical properties of Coumarin 7 (CAS: 12239-58-6)?

Coumarin 7 is a white crystalline solid with a molecular weight of approximately 184.18 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. Chemically, it is known for its photochemical properties, particularly its ability to undergo photoisomerization. Coumarin 7 is stable under normal conditions but can react with strong acids to form coumarin-3-carboxylic acid.

How is Coumarin 7 (CAS: 12239-58-6) typically synthesized?

Coumarin 7 is commonly synthesized from 7-hydroxycoumarin through acetylation. The reaction involves treating 7-hydroxycoumarin with acetic anhydride in the presence of a catalyst like pyridine. The yield is typically around 85%, and the product is purified by recrystallization from ethanol. This method ensures a high degree of selectivity and purity.

What industries use Coumarin 7 (CAS: 12239-58-6)?

Coumarin 7 is widely used in the pharmaceutical industry for its photodynamic properties, as a photosensitizer in phototherapy. It is also utilized in the polymer industry for its fluorescence properties, enhancing the luminescence of polymers. Additionally, it finds applications in the development of sensors and semiconductors, particularly in the fabrication of organic photoconductors and photodiodes.

What precautions should be taken when handling Coumarin 7 (CAS: 12239-58-6)?

When handling Coumarin 7, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be contained and cleaned up with a suitable absorbent material. In case of skin contact, immediately wash with soap and water. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.