9,9'-Bianthracene - ≥98% , CAS No.1055-23-8

CAS: 1055-23-8 Cat. No.: B153175 Fórmula: C₂₈H₁₈ Peso molecular: 354.45 Número EC: 881-357-7

GRADE & PURITY ≥98%

Synonyms

10-(anthracen-10-yl)anthracene | A801254 | AC-5801 | 9,9'-Bianthracene | DTXSID9074438 | AB6106 | AI3-19380 | 9,9/'-Bianthracene | J-519483 | 9,9 inverted exclamation mark -bianthracene | FT-0621604 | 9,9'-Dianthracenyl | 9,9'-Bianthryl | 9,9-bianthryl |

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

10-(anthracen-10-yl)anthracene | A801254 | AC-5801 | 9,9'-Bianthracene | DTXSID9074438 | AB6106 | AI3-19380 | 9,9/'-Bianthracene | J-519483 | 9,9 inverted exclamation mark -bianthracene | FT-0621604 | 9,9'-Dianthracenyl | 9,9'-Bianthryl | 9,9-bianthryl |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488183733

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183733

Sonrisas canónicas

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=C5C=CC=CC5=CC6=CC=CC=C64

IUPAC Name

9-anthracen-9-ylanthracene

InChIKey

SXGIRTCIFPJUEQ-UHFFFAOYSA-N

INCHI

1S/C28H18/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)28-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)28/h1-18H

Isómeros SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=C5C=CC=CC5=CC6=CC=CC=C64

RTECS

DT3572500

Peso molecular

354.45

Reaxy-Rn

1915002

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1915002&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • Clase Arylnaphthalene lignans

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Clase: Arylnaphthalene lignans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Arylnaphthalene lignans
• Alternative Parents: Anthracenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Arylnaphthalene lignan skeleton - Anthracene - Benzenoid - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities.
• 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

• Sensibilidad: Light Sensitive
• Punto de fusión (°C): 306°C(lit.)
• Peso molecular: 354.400 g/mol
• XLogP3: 8.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 354.141 Da
• Monoisotopic Mass: 354.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 444.000
• 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