2,7-Dibromophenanthrene-9,10-dione - ≥97% , CAS No.84405-44-7

CAS: 84405-44-7 Cat. No.: D154583 Peso molecular: 366.01 Número EC: 805-819-4

GRADE & PURITY ≥97%

Synonyms

SCHEMBL1290049 | AKOS016000251 | 2,7-bis(bromanyl)phenanthrene-9,10-dione | 2,7-DIBROMO-9,10-PHENANTHRENEDIONE | 2,7-dibromo-phenanthrene-9,10-dione | 2,7-dibromophenanthrene-9,10-dione | D4363 | 2,7-dibromophenanthrene-9,10-quinone | LTZIIBSPYWTOQV-UHFFF

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL1290049 | AKOS016000251 | 2, 7-bis(bromanyl)phenanthrene-9, 10-dione | 2, 7-DIBROMO-9, 10-PHENANTHRENEDIONE | 2, 7-dibromo-phenanthrene-9, 10-dione | 2, 7-dibromophenanthrene-9, 10-dione | D4363 | 2, 7-dibromophenanthrene-9, 10-quinone | LTZIIBSPYWTOQV-UHFFF

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488189158
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189158
• Sonrisas canónicas: C1=CC2=C(C=C1Br)C(=O)C(=O)C3=C2C=CC(=C3)Br
• IUPAC Name: 2,7-dibromophenanthrene-9,10-dione
• InChIKey: LTZIIBSPYWTOQV-UHFFFAOYSA-N
• INCHI: 1S/C14H6Br2O2/c15-7-1-3-9-10-4-2-8(16)6-12(10)14(18)13(17)11(9)5-7/h1-6H
• Isómeros SMILES: C1=CC2=C(C=C1Br)C(=O)C(=O)C3=C2C=CC(=C3)Br
• Peso molecular: 366.01
• Reaxy-Rn: 2560980
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2560980&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenanthrenes and derivatives
      • Subclass Phenanthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenanthrenes and derivatives
• Subclass: Phenanthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthraquinones
• Alternative Parents: Polybrominated biphenyls Hydrophenanthrenes Naphthalenes O-quinones Aryl ketones Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthraquinone - Hydrophenanthrene - Polybrominated biphenyl - Naphthalene - Aryl ketone - Quinone - O-quinone - Aryl bromide - Aryl halide - Ketone - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenanthraquinones. These are phenanthrene derivatives containing two ketone groups at position C9 and C10, respectively.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 331°C
• Peso molecular: 366.000 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 365.871 Da
• Monoisotopic Mass: 363.873 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 346.000
• 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. Mingyi Guan, Hui Li, Man Tu, Chenchen Fu, Xiyu Yang, Feng Wang.  (2024)  A novel fluorescent “Off-On” probe based on phenanthro[9,10-d]imidazole conjugated polymers (PIPF) for Cr3+ detection with high selectivity and sensitivity.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:38324948] [10.1016/j.saa.2024.123988]

2. Binhua Mei, Ju Bai, Yuhang Zhang, Yang Ma, Yanjun Hou, Shuhong Wang, Cheng Wang.  (2024)  Synthesis of thienopyrazine- and cyclofluorene–thiophene-based donor–acceptor low-band gap polymers and their application in memory devices.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.55998]