3,6-Dibromo-9H-fluoren-9-one - ≥97%(HPLC) , CAS No.216312-73-1

CAS: 216312-73-1 Cat. No.: D290536 EC Number: 834-022-4

GRADE & PURITY ≥97%(HPLC)

Synonyms

F18766 | 3,6-dibromo-9-fluorenone | 3,6-dibromo-9h-fluoren-9-one | NSC86559 | NSC-86559 | 9H-Fluoren-9-one, 3,6-dibromo- | AKOS028108621 | SCHEMBL12469932 | XXZOHYHKWDLSFS-UHFFFAOYSA-N | MFCD30478800 | A852617 | SY234667 | 3,6-dibromo-fluoren-9-one | 3,6-

Storage

Room temperature

Overview

Applications：
3,6-Dibromo-9H-fluoren-9-one is a reagent in the preparation of diphenylamine-fluorenone derivatives as potential fluorescent probes for neuroblastoma cell staining.

Specifications

Synonyms

F18766 | 3, 6-dibromo-9-fluorenone | 3, 6-dibromo-9h-fluoren-9-one | NSC86559 | NSC-86559 | 9H-Fluoren-9-one, 3, 6-dibromo- | AKOS028108621 | SCHEMBL12469932 | XXZOHYHKWDLSFS-UHFFFAOYSA-N | MFCD30478800 | A852617 | SY234667 | 3, 6-dibromo-fluoren-9-one | 3, 6-

Specifications & Purity

≥97%(HPLC)

Storage

Room temperature

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 488189089
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189089
• Canonical Smiles: C1=CC2=C(C=C1Br)C3=C(C2=O)C=CC(=C3)Br
• IUPAC Name: 3,6-dibromofluoren-9-one
• InChIKey: XXZOHYHKWDLSFS-UHFFFAOYSA-N
• INCHI: 1S/C13H6Br2O/c14-7-1-3-9-11(5-7)12-6-8(15)2-4-10(12)13(9)16/h1-6H
• Isomeric SMILES: C1=CC2=C(C=C1Br)C3=C(C2=O)C=CC(=C3)Br
• Reaxy-Rn: 3282236
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3282236&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Brominated biphenyls
          • Level6 Polybrominated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Brominated biphenyls
• Direct Parent: Polybrominated biphenyls
• Alternative Parents: Fluorenes Aryl ketones Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Polybrominated biphenyl - Fluorene - Aryl ketone - Aryl halide - Aryl bromide - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine atom.
• 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

Chemical and Physical Properties

• Molecular Weight: 337.990 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 337.876 Da
• Monoisotopic Mass: 335.879 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 276.000
• 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

References

1. Dandan Wang, Xiaofei Yan, Xinsheng Zhu, Ying Liu, Laihong Zhang, Yaqiu Lu, Jie Li, Dingming Xue.  (2024)  Facilitating Charge Separation of Donor–Acceptor Conjugated Microporous Polymers via Position Isomerism Strategy for Efficient CO2 Photoconversion.  Catalysts,  14  (10): (659).  [PMID:] [10.3390/catal14100659]