9,10-Dibromo-2-phenylanthracene - ≥97% , CAS No.929103-26-4

CAS: 929103-26-4 Cat. No.: D404355 Formula: C₂₀H₁₂Br₂ Peso molecolare: 412.12

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488201999

Sorrisi canonici

C1=CC=C(C=C1)C2=CC3=C(C4=CC=CC=C4C(=C3C=C2)Br)Br

IUPAC Name

9,10-dibromo-2-phenylanthracene

InChIKey

JBYBLHYEVCYGME-UHFFFAOYSA-N

INCHI

1S/C20H12Br2/c21-19-15-8-4-5-9-16(15)20(22)18-12-14(10-11-17(18)19)13-6-2-1-3-7-13/h1-12H

Isomeri SMILES

C1=CC=C(C=C1)C2=CC3=C(C4=CC=CC=C4C(=C3C=C2)Br)Br

Peso molecolare

412.12

Reaxy-Rn

15468104

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15468104&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Phenylnaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Phenylnaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylnaphthalenes
• Alternative Parents: Anthracenes Benzene and substituted derivatives Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenylnaphthalene - Anthracene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.
• 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): 188 °C
• Peso molecolare: 412.100 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 411.929 Da
• Monoisotopic Mass: 409.931 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 376.000
• 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