2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate (1:1)

Basic Information

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CAS Number

849061-97-8

Molecular Formula

C15H12O8

Molecular Weight

320.25 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

Melting Point

>300°C

Boiling Point

714.6°C at 760 mmHg

Flash Point

386°C

Solubility

DMSO: soluble200mg/mL

SMILES

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OC1=C(C2=CC=C(O)C(O)=C2)OC3=C(C(O)=CC(O)=C3)C1=O.[H]O[H]

InChI

InChI=1S/C15H10O7.H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;/h1-5,16-19,21H;1H2

InChIKey

OKXFBEYCJRMINR-UHFFFAOYSA-N

LogP

1.1632999999999998

Topological Polar Surface Area

162.86 Å²

Hydrogen Bond Donor/Acceptor

7 / 8

Complexity

488

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, hydrate (1:?)
Quercetin
QUERCETIN HYDRATE
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate
3,3',4',5,7-Pentahydroxyflavone Hydrate
Quercetin monohydrate
Quercetin hydrate, 95%
C15H10O7.H2O
Quercetinhydrate
SMR000674606
2(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one monohydrate
Quercetin hydrate
Quercetine(Sophoretin)/
Quercetin hydrate, >=95%
MLS002153851
MLS001074343
REGID_for_CID_747934
OKXFBEYCJRMINR-UHFFFAOYSA-N
HMS3370H12
HMS2234O11
REGID_for_CID_16212154
3,3;,4;,5,7-Pentahydroxyfla

MDL Number

MFCD03847906

Customs Code

2932999099

FAQ

What is 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate (CAS: 849061-97-8)?

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate is a chromone derivative with the CAS number 849061-97-8. It features a chromenone structure with multiple hydroxyl groups. This compound is water-soluble and has potential applications in pharmaceuticals and research.

What are the main uses of 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate (CAS: 849061-97-8)?

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate is primarily used in pharmaceuticals for its antioxidant and anti-inflammatory properties. It may also find applications in research for studying chromone derivatives and their biological activities.

Is 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate (CAS: 849061-97-8) safe?

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate is generally considered safe when used appropriately. However, users should follow standard safety guidelines, including handling with gloves and in a well-ventilated area to avoid skin contact and inhalation.

How should 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate (CAS: 849061-97-8) be stored?

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate should be stored in a cool, dry place, away from direct sunlight and moisture. It is recommended to keep it in a tightly sealed container and store at 15-25°C (59-77°F) to maintain its stability and prevent degradation.