Fluindione - ≥95% , CAS No.957-56-2

CAS: 957-56-2 Cat. No.: F342943 Formula: C₁₅H₉FO₂ Peso molecolare: 240.23 Numero EC: 213-484-5

GRADE & PURITY ≥95%

Synonyms

2-(4-fluorophenyl)indene-1,3-dione | DTXCID9026211 | Fluindione-d4 | 1246820-41-6 | CCG-248812 | Fluindionum [INN-Latin] | Previscan | Previsccan (TN) | SR-01000944829 | D07969 | 1,3-Indandione, 2-(p-fluorophenyl)- | SCHEMBL309362 | Fluindione 100 microg/

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Panoramica

Fluindione is a vitamin K antagonist.

Specifications

Sinonimi

2-(4-fluorophenyl)indene-1,3-dione | DTXCID9026211 | Fluindione-d4 | 1246820-41-6 | CCG-248812 | Fluindionum [INN-Latin] | Previscan | Previsccan (TN) | SR-01000944829 | D07969 | 1,3-Indandione, 2-(p-fluorophenyl)- | SCHEMBL309362 | Fluindione 100 microg/

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)F
• IUPAC Name: 2-(4-fluorophenyl)indene-1,3-dione
• InChIKey: NASXCEITKQITLD-UHFFFAOYSA-N
• INCHI: 1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
• Isomeri SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)F
• Peso molecolare: 240.23
• Reaxy-Rn: 2052411
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052411&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanediones
• Alternative Parents: Aryl alkyl ketones Fluorobenzenes Beta-diketones Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanedione - Aryl ketone - Aryl alkyl ketone - Fluorobenzene - Halobenzene - 1,3-diketone - 1,3-dicarbonyl compound - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Ketone - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups.
• External Descriptors: Not available

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

Obiettivi associati (umani)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• Punto di fusione (°C): 117-120° C (dec.)
• Peso molecolare: 240.230 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 240.059 Da
• Monoisotopic Mass: 240.059 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 334.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 957-56-2, the molecular formula is C15H9FO2, and the molecular weight is 240.23 g/mol. InChIKey NASXCEITKQITLD-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.