Chalcone | CAS No. 94-41-7

Chalcone

Basic Information

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CAS Number

94-41-7

Molecular Formula

C15H12O

Molecular Weight

208.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

55.0 to 59.0 deg-C

Boiling Point

208 °C25 mm Hg

Density

1.097±0.06 g/cm3 (20 ºC 760 Torr),

Refractive Index

1.6152 (589.3 nm 20 ºC)

SMILES

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C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H

InChIKey

DQFBYFPFKXHELB-UHFFFAOYSA-N

LogP

3.5827000000000027

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

242

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-Propen-1-one,1,3-diphenyl-
Chalcone
Benzylideneacetophenone
CHALCONE(P) PrintBack
CHALCONE(RG)
CHALCONE(RG) PrintBack
BENZALACETOPHENONE
CHALKONE
Cinnamophenone
styrylphenylketone
2-Benzalacetophenone
2-Benzylideneacetophenone
1,3-Diphenyl-2-propen-1-one
Phenyl Styryl Ketone
Benzylidenecetophenone
NSC 26612
NSC 4523
Phenyl 2-phenylethenyl ketone
Phenyl 2-phenylvinyl ketone
alpha-Benzylideneacetophenone
beta-Benzoylstyrene
beta-Phenylacrylophenone
omega-Benzylideneacetophenone
Styryl phenyl ketone
trans-Chalcone
(E)-Chalcone
1,3-Diphenylpropenone
3-Phenylacrylophenone
1-Benzoyl-2-phenylethene
(2E)-1,3-diphenylprop-2-en-1-one
trans-Benzalacetophenone

MDL Number

MFCD00003082

Customs Code

2914399090

FAQ

What are the physical and chemical properties of Chalcone (CAS: 94-41-7)?

Chalcone (CAS: 94-41-7) is a yellow crystalline compound with a molecular weight of approximately 162.16 g/mol. It has a high solubility in organic solvents like ethanol and chloroform. Chalcone is relatively stable under basic conditions but can undergo intramolecular condensation reactions in the presence of acid. It exhibits poor solubility in water and is weakly basic.

How is Chalcone (CAS: 94-41-7) typically synthesized?

Chalcone (CAS: 94-41-7) is commonly synthesized via a Claisen-Schmidt condensation of an α,β-unsaturated ketone with a phenol or aldehyde. The reaction typically requires a base like sodium hydroxide or potassium hydroxide. The yield can be improved by careful control of reaction conditions and the use of suitable solvents. The method is selective and can produce high yields of chalcone.

What industries use Chalcone (CAS: 94-41-7)?

Chalcone (CAS: 94-41-7) is utilized in various industries. It is used in the pharmaceutical industry for drug discovery and synthesis due to its bioactivity. In the polymer industry, it serves as a precursor for synthesizing various polymeric materials. Additionally, it finds applications in the development of sensors and semiconductors, particularly in photonic devices.

What precautions should be taken when handling Chalcone (CAS: 94-41-7)?

When handling Chalcone (CAS: 94-41-7), appropriate personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. This compound should be used in a well-ventilated environment or a fume hood. In case of a spill, it is important to clean up using appropriate absorbent materials and to consult the Safety Data Sheet (SDS) for specific cleanup procedures. Storage should be in a cool, dry place away from direct sunlight and heat sources.