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

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

QUALITÀ & PUREZZA ≥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

Specifiche

Sinonimi

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

Specifiche e purezza

≥95%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%(HPLC)

Nomi e identificatori

Pubchem Sid

488184042

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 300 °C
• Peso molecolare: 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