Bianthrone - ≥95%(HPLC) , CAS No.434-85-5

CAS: 434-85-5 Cat. No.: B151959 Fórmula: C₂₈H₁₆O₂ Peso molecular: 384.43 Beilstein Registry Number: 7848

GRAU & PUREZA ≥95%(HPLC)

Synonyms

AKOS005443793 | Dehydrodianthrone | NSC627656 | NSC-627656 | 10-(10-oxoanthracen-9-ylidene)anthracen-9-one | 10H,10'H-[9,9'-Bianthracenylidene]-10,10'-dione | B0827 | 10-(10-oxo-9-anthrylidene)anthracen-9-one | InChI=1/C28H16O2/c29-27-21-13-5-1-9-17(21)25

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

AKOS005443793 | Dehydrodianthrone | NSC627656 | NSC-627656 | 10-(10-oxoanthracen-9-ylidene)anthracen-9-one | 10H,10'H-[9,9'-Bianthracenylidene]-10,10'-dione | B0827 | 10-(10-oxo-9-anthrylidene)anthracen-9-one | InChI=1/C28H16O2/c29-27-21-13-5-1-9-17(21)25

Especificações e pureza

≥95%(HPLC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%(HPLC)

Nomes e identificadores

Pubchem Sid

488184042

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184042

Sorrisos canónicos

C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)C6=CC=CC=C6C2=O

IUPAC Name

10-(10-oxoanthracen-9-ylidene)anthracen-9-one

InChIKey

MGRRGKWPEVFJSH-UHFFFAOYSA-N

INCHI

1S/C28H16O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H

SMILES isoméricas

C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)C6=CC=CC=C6C2=O

Peso molecular

384.43

Beilstein

7848

Reaxy-Rn

2062684

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2062684&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Aryl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 300 °C
• Peso molecular: 384.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 384.115 Da
• Monoisotopic Mass: 384.115 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 630.000
• 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