1,3,7-Trihydroxy-9H-xanthen-9-one

Basic Information

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CAS Number

529-49-7

Molecular Formula

C13H8O5

Molecular Weight

244.2 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

Physical State

Yellow powder

SMILES

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C1=CC2=C(C=C1O)C(=O)C3=C(C=C(C=C3O2)O)O

InChI

InChI=1S/C13H8O5/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,14-16H

InChIKey

JJUNZBRHHGLJQW-UHFFFAOYSA-N

LogP

2.063

Topological Polar Surface Area

90.9 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

344

Synonyms & References

English

1,3,7-trihydroxyxanthen-9-one
BRN 0384687
9H-Xanthen-9-one,1,3,7-trihydroxy-
1,3,7-Trihydroxyxanthone
Gentisein
DTXSID20200944
MS-23450
9H-Xanthen-9-one, 1,3,7-trihydroxy-
NSC329491
Gentisein(NSC 329491)
529-49-7
NSC-329491
Q27106719
Gentisein(NSC329491)
1,3,7-Trihydroxy-xanthen-9-one
NSC 329491
HY-118166
UNII-0P3G42TQ63
AKOS022662257
1,3,7-trihydroxy-9H-xanthen-9-one
Y11006
CCRIS 4008
XANTHONE DERIV
BDBM50155446
CS-0065353
CHEMBL361025
1,3,7-Trihydroxy-9H-xanthen-9-one, 9CI
1,3,7-trihydroxy-xanthone
SCHEMBL2315926
Xanthen-9-one, 1,3,7-trihydroxy-
CHEBI:5323

MDL Number

MFCD00210571

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 1,3,7-Trihydroxy-9H-xanthen-9-one (CAS: 529-49-7)?

1,3,7-Trihydroxy-9H-xanthen-9-one (CAS: 529-49-7) is a crystalline compound with a molecular weight of approximately 254.22 g/mol. It is sparingly soluble in water and soluble in common organic solvents like ethanol and acetone. Chemically, it is a chromone derivative, known for its reducing properties and moderate reactivity in acidic conditions.

How is 1,3,7-Trihydroxy-9H-xanthen-9-one (CAS: 529-49-7) typically synthesized?

1,3,7-Trihydroxy-9H-xanthen-9-one (CAS: 529-49-7) is typically synthesized via the oxidation of xanthone with potassium permanganate in an acidic medium. The reaction involves mild heating and can be performed in aqueous methanol or ethanol. The yield is usually around 70%, with good selectivity towards the desired product.

What industries use 1,3,7-Trihydroxy-9H-xanthen-9-one (CAS: 529-49-7)?

1,3,7-Trihydroxy-9H-xanthen-9-one (CAS: 529-49-7) is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those involving antioxidant properties. It also finds application in the production of dyes, pigments, and as a precursor in the development of sensors and materials for semiconductors.

What precautions should be taken when handling 1,3,7-Trihydroxy-9H-xanthen-9-one (CAS: 529-49-7)?

When handling 1,3,7-Trihydroxy-9H-xanthen-9-one (CAS: 529-49-7), it is important to wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. Handle in a well-ventilated area or fume hood. In case of spill, neutralize with an appropriate base and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.