5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one

Basic Information

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CAS Number

552-59-0

Molecular Formula

C16H12O5

Molecular Weight

284.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Physical State

Powder

Melting Point

240-242°C

Boiling Point

546.5℃/760mmHg

Flash Point

209.7±23.6 °C

Solubility

71.1 mg/L @ 25 °C (est)

Refractive Index

1.6200 (estimate)

Vapor Pressure

0.0±1.5 mmHg at 25°C

SMILES

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COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3

InChIKey

KQMVAGISDHMXJJ-UHFFFAOYSA-N

LogP

2.8798000000000012

Topological Polar Surface Area

79.9 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

424

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Storage Conditions

2-8℃

Synonyms & References

English

Prunetin
Prunetin, >=98.0% (TLC)
KQMVAGISDHMXJJ-UHFFFAOYSA-N
5-18-04-00595 (Beilstein Handbook Reference)
DivK1c_006589
GTPL6919
KBio2_001507
DTXSID3022530
PRUNETIN [MI]
CHEBI:8600
Q7253051
5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one
Isoflavone, 4',5-dihydroxy-7-methoxy- (7CI,8CI)
Spectrum3_001402
NCGC00178331-01
5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-benzopyrone
SpecPlus_000493
KBio3_002264
KBio2_006643
SMP1_000150
Spectrum4_001723
7-O-Methyl genistein
KBio2_004075
FT-0708556
NS00033278
4H-1-Benzopyran-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-
EINECS 209-018-5
AS-71541
BSPBio_003044
5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one, 9CI
KBioSS_001507

MDL Number

MFCD00016951

Customs Code

2914509090

FAQ

What are the physical and chemical properties of 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one (CAS: 552-59-0)?

5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one is a crystalline solid with a molecular weight of approximately 321.26 g/mol. It is slightly soluble in water and more soluble in organic solvents like methanol and ethanol. Chemically, it shows moderate reactivity towards acidic and basic conditions. It can undergo ring-opening reactions and condensation reactions under certain conditions.

How is 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one (CAS: 552-59-0) typically synthesized?

5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one can be synthesized through a multistep process involving coupling reactions and condensation reactions. Commonly, this involves the use of phenolic compounds and methoxy derivatives, with the use of Lewis acids or base catalysts. The overall yield is around 70-80%, and the method is selective and efficient for the preparation of this compound.

What industries use 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one (CAS: 552-59-0)?

5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one is primarily used in the pharmaceutical industry for the development of certain drugs. It also has applications in the polymer industry for modifying polymer properties and in the sensor industry for detecting specific chemical substances. It is less commonly used in semiconductors.

What precautions should be taken when handling 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one (CAS: 552-59-0)?

When handling 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight and ignition sources. In case of a spill, use appropriate chemical spill cleanup procedures and refer to the Safety Data Sheet (SDS) for specific instructions.