2,6-Dibromoanthraquinone - ≥96% , CAS No.633-70-5

CAS: 633-70-5 Cat. No.: D123985 Peso molecular: 366.01 Beilstein Registry Number: 7(3)4078

GRADE & PURITY ≥96%

Synonyms

9,10-Anthracenedione, 2,6-dibromo- | AKOS015835858 | FT-0655506 | 2,6-dibromoanthracene-9,10-dione | SCHEMBL762135 | 2,6-dibromanthrachinon | 2,6-dibromo-9,10-dihydroanthracene-9,10-dione | J-507405 | AC-24443 | 2,6-Dibromo-9,10-anthraquinone | SB66745 |

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

9, 10-Anthracenedione, 2, 6-dibromo- | AKOS015835858 | FT-0655506 | 2, 6-dibromoanthracene-9, 10-dione | SCHEMBL762135 | 2, 6-dibromanthrachinon | 2, 6-dibromo-9, 10-dihydroanthracene-9, 10-dione | J-507405 | AC-24443 | 2, 6-Dibromo-9, 10-anthraquinone | SB66745 |

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504765787
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765787
• Sonrisas canónicas: C1=CC2=C(C=C1Br)C(=O)C3=C(C2=O)C=C(C=C3)Br
• IUPAC Name: 2,6-dibromoanthracene-9,10-dione
• InChIKey: JUFYHUWBLXKCJM-UHFFFAOYSA-N
• INCHI: 1S/C14H6Br2O2/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6H
• Isómeros SMILES: C1=CC2=C(C=C1Br)C(=O)C3=C(C2=O)C=C(C=C3)Br
• Peso molecular: 366.01
• Beilstein: 7(3)4078
• Reaxy-Rn: 3317774
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3317774&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - Aryl halide - Aryl bromide - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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 ；Air sensitive
• Punto de fusión (°C): 290°C
• Peso molecular: 366.000 g/mol
• XLogP3: 4.200
• 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. Ming Zhan, Yue Wang, Huai Liu, Rui Zhang, Lincai Peng, Junhua Zhang.  (2023)  Visible-light-driven efficient photocatalytic oxidation of 5-hydroxymethylfurfural over a metal-free recyclable anthraquinone derivative.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2023.113788]

2. Mingyue Yu, Xiaozhong Yu, Jiahui Hu, Chengbin Tang, Cong Fan.  (2023)  In-situ polymerization of an organic cathode for highly efficient Li-ion batteries.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2023.109575]

3. Zhen Chen, Yan Wang, Zebing Ning, Qi Huang, Jia Zhou, Faquan Yu.  (2024)  Conjugated Microporous Polymer/TiS2 Composite Cathode for High-Performance Lithium-Rechargeable Batteries.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c02203]

4. Ruoxuan Guo, Liping Song, Wencheng Yao, Yingzhong Huo, Lu Wang, Yang Liu, Yuejie Ai, Xiangke Wang.  (2026)  Guided electron flow in anthraquinone-methoxy donor-acceptor1-acceptor2 covalent triazine frameworks enabling superior selective uranium capture.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:41638077] [10.1016/j.jcis.2026.140012]