4,4′-Dibromobiphenyl - ≥98% , CAS No.92-86-4

CAS: 92-86-4 Cat. No.: D111307 Peso molecular: 312 Beilstein Registry Number: 2044701 Número EC: 202-198-6

GRADE & PURITY ≥98%

Synonyms

PBB 15 | AS-11941 | AI3-17378 | EINECS 202-198-6 | 4,4'-Dibromo-1,1'-biphenyl # | 1, 4,4'-dibromo- | MFCD00000101 | PBB-No. 15 | Q-101202 | EN300-18480 | 4,4'-Dibromodiphenyl | 4',4-dibromobiphenyl | 4,4''''-Dibromo-Biphenyl | 4,4'-DIBROMOBIPHENYL | 4,4'-

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

4,4′-Dibromobiphenyl has been used to prepare 3,7-dibromodibenzothiophene-5-dioxide and 4,4′-dibromobiphenyl-3-sulfonic acid by using chlorosulfonic acid.

Specifications

Sinónimos

PBB 15 | AS-11941 | AI3-17378 | EINECS 202-198-6 | 4, 4'-Dibromo-1, 1'-biphenyl # | 1, 4, 4'-dibromo- | MFCD00000101 | PBB-No. 15 | Q-101202 | EN300-18480 | 4, 4'-Dibromodiphenyl | 4', 4-dibromobiphenyl | 4, 4''''-Dibromo-Biphenyl | 4, 4'-DIBROMOBIPHENYL | 4, 4'-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180294
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180294
• Sonrisas canónicas: C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br
• IUPAC Name: 1-bromo-4-(4-bromophenyl)benzene
• InChIKey: HQJQYILBCQPYBI-UHFFFAOYSA-N
• INCHI: 1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
• Isómeros SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br
• WGK Alemania: 2
• Peso molecular: 312
• Beilstein: 2044701
• Reaxy-Rn: 2044701
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044701&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Brominated biphenyls
• Direct Parent: Polybrominated biphenyls
• Alternative Parents: Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Polybrominated biphenyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: Light sensitive.
• Punto de inflamación (°F): 100 °C
• Punto de inflamación (°C): 100°C
• Punto de ebullición (°C): 355-360°C
• Punto de fusión (°C): 166-169°C
• Peso molecular: 312.000 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 311.897 Da
• Monoisotopic Mass: 309.899 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 145.000
• 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. Qiuyu Lin, Luyun Xue, Jiannan Sun, Yuanchao Wang, Heyong Cheng.  (2022)  Suzuki C–C Coupling in Paper Spray Ionization: Microsynthesis of Biaryls and High-Sensitivity MS Detection of Aryl Bromides.  JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,      [PMID:36074999] [10.1021/jasms.2c00192]

2. Jincheng Cheng, Yifan Li, Li Li, Pengpeng Lu, Qiang Wang, Chiyang He.  (2019)  Thiol-/thioether-functionalized porous organic polymers for simultaneous removal of mercury(II) ion and aromatic pollutants in water.  NEW JOURNAL OF CHEMISTRY,  43  (20): (7683-7693).  [PMID:] [10.1039/C9NJ01111K]

3. Wei Qiuxi, Wu Kangbing, Wang Zhengguo, Ye Xiaoxue, Li Chunya, Wang Yanying, Gan Tian.  (2018)  Impedance sensing platform for 4,4′-dibromobiphenyl based on a molecularly imprinted polymerized ionic liquid film/gold nanoparticle-modified glassy carbon electrode.  JOURNAL OF NANOPARTICLE RESEARCH,  20  (11): (1-10).  [PMID:] [10.1007/s11051-018-4373-5]

4. Yanming Hu, Zhongfu Zhao, Xue Bai, Xuecheng Yuan, Xuequan Zhang, Toshio Masuda.  (2014)  Organoborane-containing polyacetylene derivatives: synthesis, characterization, and fluoride-sensing properties.  RSC Advances,  4  (98): (55179-55186).  [PMID:] [10.1039/C4RA11062E]

5. Yu Zang, Yangyang Yu, Yanlin Chen, Minyi Fan, Jianjun Wang, Jiao Liu, Liang Xu, Hongge Jia, Shaobo Dong.  (2024)  Synthesis of conjugated microporous polymers rich in sulfonic acid groups for the highly efficient adsorption of Cs+.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.149709]

6. Weiwei Zhang, Chenxing Hu, Xinsheng Qiu, Hansheng Li, Qin Wu, Daxin Shi, Yaoyuan Zhang, Kangcheng Chen.  (2025)  Main-Chain Densely Sulfonated Poly(phenylquinoxaline) PEMs: Achieving High Power Density in DMFCs via Microphase methodology.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.124768]

7. Chenfei Yao, Wenjie Xiong, Haining Sun, Xin Wang, Zhibing Zhang, Xingbang Hu.  (2024)  Mesoporous coordinated polymers with single-metal-site iridium for efficient catalysis in propylene hydroformylation.  AICHE JOURNAL,      [PMID:] [10.1002/aic.18425]

8. Hongyang Li, Yaowu He, Dongwen Zou, Meili Xu, Jingyan Liu, Zizheng Tong, Meimei Zhu, Jinyuan Tang, Tianhe Xu, Lijia Yan, Hong Meng.  (2025)  Smart energy-saving windows enabled by transparent-to-black ultra-low voltage polytriphenylamines.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.170887]