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

CAS: 92-86-4 Cat. No.: D111307 Molecular Weight: 312 Beilstein Registry Number: 2044701 EC Number: 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

Overview

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

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'-

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180294
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180294
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br
• WGK Germany: 2
• Molecular Weight: 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
    • 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: 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
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Sensitivity: Light sensitive.
• Flash Point(°F): 100 °C
• Flash Point(°C): 100°C
• Boil Point(°C): 355-360°C
• Melt Point(°C): 166-169°C
• Molecular Weight: 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

References

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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]

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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]

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