2,9-Dibromo-1,10-phenanthroline - ≥97% , CAS No.39069-02-8

CAS: 39069-02-8 Cat. No.: D301472 Peso molecular: 338

GRADE & PURITY ≥97%

Synonyms

AKOS015899694 | AC-24456 | FT-0702648 | DTXSID00572878 | QNLGXYVSHITTGT-UHFFFAOYSA-N | A846133 | 2,9-dibromophenathroline | DS-15731 | 2,9-DIBROMO-1,10-PHENANTHROLINE | 29-dibromo-1,10-phenanthroline | SCHEMBL57528 | 2 pound not9-dibromo-1,10-phenanthroli

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015899694 | AC-24456 | FT-0702648 | DTXSID00572878 | QNLGXYVSHITTGT-UHFFFAOYSA-N | A846133 | 2, 9-dibromophenathroline | DS-15731 | 2, 9-DIBROMO-1, 10-PHENANTHROLINE | 29-dibromo-1, 10-phenanthroline | SCHEMBL57528 | 2 pound not9-dibromo-1, 10-phenanthroli

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488198895
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198895
• Sonrisas canónicas: C1=CC2=C(C3=C1C=CC(=N3)Br)N=C(C=C2)Br
• IUPAC Name: 2,9-dibromo-1,10-phenanthroline
• InChIKey: QNLGXYVSHITTGT-UHFFFAOYSA-N
• INCHI: 1S/C12H6Br2N2/c13-9-5-3-7-1-2-8-4-6-10(14)16-12(8)11(7)15-9/h1-6H
• Isómeros SMILES: C1=CC2=C(C3=C1C=CC(=N3)Br)N=C(C=C2)Br
• Peso molecular: 338
• Reaxy-Rn: 787239
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=787239&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Phenanthrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Phenanthrolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrolines
• Alternative Parents: Haloquinolines 2-halopyridines Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,10-phenanthroline - Haloquinoline - Quinoline - 2-halopyridine - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.
• 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

• Peso molecular: 338.000 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 337.888 Da
• Monoisotopic Mass: 335.89 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 235.000
• 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

Referencias

1. Song Zhang, Yucong Zhou, Zhitao Shen, Yingying Li, Jian Song, Yicong Gao, Zezhi Wang, Bohao Zhang, Chong Chen, Rong Liu, Ying Liu, Ruirui Cao, Huilin Li, Fumin Li.  (2025)  High-efficiency and stable perovskite solar cells via bidentate chelation for facet-engineered growth of FAPbI3 (111) crystals.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.164079]