2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one

Basic Information

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CAS Number

90-19-7

Molecular Formula

C16H12O7

Molecular Weight

316.27 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

Yellow powder

Melting Point

293-296°C (dec.)

Boiling Point

375.7°C (rough estimate)

Density

1.3347 (rough estimate)

Flash Point

238.9°C

Refractive Index

1.4790 (estimate)

Vapor Pressure

0.0±1.9 mmHg at 25°C

SMILES

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

InChI

InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3

InChIKey

JGUZGNYPMHHYRK-UHFFFAOYSA-N

LogP

2.2910000000000004

Topological Polar Surface Area

120.36000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

503

Safety Information

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Hazard Statement

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

Synonyms & References

English

DTXSID40237979
SCHEMBL555118
CS-W014522
Rhamnetin
KBio1_001503
AKOS027320587
CHEBI:74992
SR-05000002269
CCG-38555
KBioGR_002367
Spectrum4_001872
4H-1-Benzopyran-4-one,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-
DivK1c_006559
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one
Spectrum5_000464
CCRIS 3792
3,3',4',5-Tetrahydroxy-7-methoxyflavone
E87178
SPECTRUM310031
BRD-K37206356-001-01-3
KBio3_002345
SPBio_000643
BSPBio_003125
UNII-71803L5F4S
SR-05000002269-2
3,5,3',4'-Tetrahydroxy-7-methoxyflavone
MFCD00016931
JGUZGNYPMHHYRK-UHFFFAOYSA-N
KBioSS_001665
BRN 0047741
90-19-7

MDL Number

MFCD00016931

FAQ

What regulatory guidelines apply to 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one (CAS: 90-19-7)?

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one (CAS: 90-19-7) falls under the scope of the United Nations' GHS classification, which categorizes it as a hazardous chemical based on its physical and health hazards. It is also regulated by REACH in the European Union, requiring manufacturers and importers to register the substance if it is manufactured or imported in quantities above one tonne per year. Additionally, the FDA and EPA in the United States may have specific requirements for its use, handling, and disposal due to its potential environmental and health impacts.

Are there alternatives to 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one (CAS: 90-19-7) in synthesis?

In the synthesis of 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one (CAS: 90-19-7), researchers and chemists often seek alternatives to minimize hazards and improve efficiency. Common alternatives include the use of more stable or easily accessible precursors, such as 2,3,5,7-tetramethoxyflavone, which can be used in a similar reaction pathway. Additionally, green chemistry principles can be employed, such as using catalytic systems, which can reduce the need for toxic solvents and reagents.

What is the market or research trend for 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one (CAS: 90-19-7)?

The market trend for 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one (CAS: 90-19-7) is driven by its use in pharmaceuticals and biochemical research. Recent research is focusing on its potential as a bioactive compound, particularly in anti-inflammatory and antioxidant applications. This has led to increased interest in synthesizing and studying its derivatives. Additionally, there is a growing emphasis on developing more sustainable and environmentally friendly synthesis methods to meet regulatory and market demands.

How should waste containing 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one (CAS: 90-19-7) be handled?

Waste containing 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one (CAS: 90-19-7) should be managed according to local and national regulations. Proper waste handling involves collection in appropriate containers, labeling, and storage to prevent environmental contamination. For disposal, incineration is a common method, but it should be conducted in specialized facilities to minimize emissions. Alternatively, professional waste disposal services should be utilized, especially for larger quantities, to ensure compliance with environmental protection standards.