Xanthone - ≥98%(GC) , CAS No.90-47-1

CAS: 90-47-1 Cat. No.: X107228 Fórmula: C₁₃H₈O₂ Peso molecular: 196.2 Beilstein Registry Number: 140443 Número CE: 201-997-7 PubChem CID: 7020

GRAU & PUREZA ≥98%(GC)

Synonyms

F15407 | AI3-00077 | EN300-20176 | SMR000112239 | NCGC00095484-03 | 9H-Xanthen-9-one | NSC-14978 | Xanthene, 9-oxo- | Q421789 | BDBM50155411 | A843557 | NSC 14978 | Xanthen-9-one | Dibenzo-gamma-pyrone | MLS002207109 | NCGC00095484-01 | SPECTRUM200523 | S

Storage

Room temperature

Shipped In

Normal

Visão geral

application：

Xanthone is used predominantly as oxygenated polycyclic aromatic compounds, and as a vasorelaxant. It can be used as a fluorescent agent, as well as an intermediate in organic synthesis and chemical research.

Especificações

Sinónimos

F15407 | AI3-00077 | EN300-20176 | SMR000112239 | NCGC00095484-03 | 9H-Xanthen-9-one | NSC-14978 | Xanthene, 9-oxo- | Q421789 | BDBM50155411 | A843557 | NSC 14978 | Xanthen-9-one | Dibenzo-gamma-pyrone | MLS002207109 | NCGC00095484-01 | SPECTRUM200523 | S

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

488180247

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180247

Sorrisos canónicos

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2

IUPAC Name

xanthen-9-one

InChIKey

JNELGWHKGNBSMD-UHFFFAOYSA-N

INCHI

1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H

SMILES isoméricas

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2

WGK Alemanha

3

RTECS

ZD5711000

PubChem CID

7020

Número UN

2811

Peso molecular

196.2

Beilstein

140443

Reaxy-Rn

140443

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes
            • Level7 Xanthones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans - Xanthenes
• Direct Parent: Xanthones
• Alternative Parents: Chromones Pyranones and derivatives Benzenoids Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthone - Chromone - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.
• External Descriptors: xanthones

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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GLA Tclin Alpha-galactosidase A (5444 Activities)

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CASP7 Tchem Caspase-7 (3146 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: It is Soluble in water (partly), chloroform, hot Toluene, ether (slightly), and hot alcohol.
• Ponto de ebulição (°C): 349-350°C
• Ponto de fusão (°C): 172-180℃
• Peso molecular: 196.200 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.052 Da
• Monoisotopic Mass: 196.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 237.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 90-47-1, the molecular formula is C13H8O2, and the molecular weight is 196.2 g/mol. InChIKey JNELGWHKGNBSMD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.