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

CAS: 28736-42-7 Cat. No.: D169274 Summenformel: C₁₄H₆F₂O₂ Molekulargewicht: 244.19 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥96%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

528753807

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528753807

Kanonisches Lächeln

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

Isomere SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)F)F

Molekulargewicht

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
    • Klasse Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 228-232 °C (lit.)
• Molekulargewicht: 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