1,4-Difluoroanthraquinone - ≥96% , CAS No.28736-42-7

CAS: 28736-42-7 Cat. No.: D169274 Peso molecular: 244.19 Número EC: 623-643-4

GRADE & PURITY ≥96%

Synonyms

1,4-DIFLUOROANTHRA-9,10-QUINONE | CCG-54390 | 1,4-Difluoroanthraquinone | SCHEMBL3418850 | 1,4-difluroanthraquinone | C14H6F2O2 | FT-0658519 | J-503992 | SR-01000643490-1 | FD10608 | DTXSID60384737 | 1,4-bis(fluoranyl)anthracene-9,10-dione | AMY794 | STL5

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1, 4-DIFLUOROANTHRA-9, 10-QUINONE | CCG-54390 | 1, 4-Difluoroanthraquinone | SCHEMBL3418850 | 1, 4-difluroanthraquinone | C14H6F2O2 | FT-0658519 | J-503992 | SR-01000643490-1 | FD10608 | DTXSID60384737 | 1, 4-bis(fluoranyl)anthracene-9, 10-dione | AMY794 | STL5

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)F)F
• IUPAC Name: 1,4-difluoroanthracene-9,10-dione
• InChIKey: DTNCXQHDOJRTCD-UHFFFAOYSA-N
• INCHI: 1S/C14H6F2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)F)F
• Peso molecular: 244.19
• Reaxy-Rn: 1979605
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1979605&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - Aryl halide - Aryl fluoride - Vinylogous halide - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 228-232 °C (lit.)
• Peso molecular: 244.190 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 244.034 Da
• Monoisotopic Mass: 244.034 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 346.000
• 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