Cas no 95962-62-2 (1,3-Bis(3-bromophenyl)benzene)

1,3-Bis(3-bromophenyl)benzene is a brominated aromatic compound characterized by its high thermal stability and reactivity in cross-coupling reactions, making it a valuable intermediate in organic synthesis. Its symmetrical structure, featuring two 3-bromophenyl groups attached to a central benzene ring, enhances its utility in polymerization and material science applications. The presence of bromine atoms facilitates further functionalization, enabling its use in the production of advanced polymers, liquid crystals, and pharmaceutical compounds. This compound exhibits excellent solubility in common organic solvents, ensuring ease of handling in laboratory and industrial settings. Its well-defined molecular structure and consistent purity make it a reliable choice for research and specialty chemical manufacturing.
1,3-Bis(3-bromophenyl)benzene structure
1,3-Bis(3-bromophenyl)benzene structure
Product Name:1,3-Bis(3-bromophenyl)benzene
CAS No:95962-62-2
MF:C18H12Br2
MW:388.095883369446
MDL:MFCD28138089
CID:751614
PubChem ID:354333361
Update Time:2025-05-22

1,3-Bis(3-bromophenyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1,1':3',1''-Terphenyl, 3,3''-dibromo-
    • 3,3''-Dibromo-1,1':3',1''-terphenyl
    • 1,3-bis(3-bromophenyl)benzene
    • 3,3-dibromo-1,1:3,1-Terphenyl
    • 3,3''-DIBROMO-M-TERPHENYL
    • 1,1':3',1''-Terphenyl,3,3''-dibromo
    • 3,3''-Dibrom-m-terphenyl
    • OL10133
    • D4999
    • 3-bromo-3'-(3-bromophenyl)-1,1'-biphenyl
    • 3,3′′-Dibromo-1,1′:3′,1′′-terphenyl (ACI)
    • m-Terphenyl, 3,3′′-dibromo- (7CI)
    • 3,3"-Dibromo-1,1′:3′,1"-terphenyl
    • F16137
    • 95962-62-2
    • AKOS027460731
    • MFCD28138089
    • AS-63236
    • DTXSID70477346
    • DA-24814
    • SCHEMBL191276
    • CS-0182940
    • YSZC1929
    • SB66577
    • VDA96262
    • 1,3-Bis(3-bromophenyl)benzene
    • MDL: MFCD28138089
    • Inchi: 1S/C18H12Br2/c19-17-8-2-6-15(11-17)13-4-1-5-14(10-13)16-7-3-9-18(20)12-16/h1-12H
    • InChI Key: FGKHIPSLESGJNR-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C2C=C(C3C=C(Br)C=CC=3)C=CC=2)C=CC=1

Computed Properties

  • Exact Mass: 385.93100
  • Monoisotopic Mass: 385.93058g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 276
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0
  • XLogP3: 6.6

Experimental Properties

  • Density: 1.537±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 53.0 to 57.0 deg-C
  • Boiling Point: 225°C/0.4mmHg(lit.)
  • Flash Point: 260.8±22.4 °C
  • Solubility: Insuluble (2.5E-5 g/L) (25 oC),
  • PSA: 0.00000
  • LogP: 6.54560
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

1,3-Bis(3-bromophenyl)benzene Pricemore >>

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1,3-Bis(3-bromophenyl)benzene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Cesium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Toluene ;  overnight, 80 °C; 6 - 8 h, 100 °C
Reference
Electroactive benzofluorene aromatic polyamine derivatives and organic electronic devices comprising them as photoactive organic layer
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Tripotassium phosphate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Dimethylformamide ;  16 h, 80 °C
Reference
A chemically-responsive bis-acridinium receptor
Gosset, A.; Xu, Z.; Maurel, F.; Chamoreau, L.-M.; Nowak, S.; et al, New Journal of Chemistry, 2018, 42(6), 4728-4734

Production Method 3

Reaction Conditions
Reference
Synthesis of polynuclear cyclophanes
Tobe, Y.; Takeda, T., Science of Synthesis, 2010, 45, 1311-1348

Production Method 4

Reaction Conditions
Reference
Preparation of bisanthracene derivatives as organic electroluminescent materials
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
Reference
Studies of polyphenyls and polyphenylenes. XIII. Syntheses and physical properties of several polyphenylenes containing mixed linkages
Fujioka, Yasuhiro, Bulletin of the Chemical Society of Japan, 1984, 57(12), 3494-506

Production Method 6

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Ethanol ,  Toluene ,  Water ;  24 h, reflux
Reference
Optimized electron-transport material based on m-terphenyl-diphenylphosphine oxide with the harmonious compatibility of high ET and electron mobility for highly efficient OLEDs
Zhang, Qing; Wang, Bo; Tan, Jianghong; Mu, Guangyuan; Yi, Wei; et al, Journal of Materials Chemistry C: Materials for Optical and Electronic Devices, 2017, 5(33), 8516-8526

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Ethanol ,  Toluene ,  Water ;  17 h, 80 °C
Reference
Organic electroluminescent element including compound having four or more carbazolyl groups, method for manufacturing same and novel carbazole derivative
, World Intellectual Property Organization, , ,

Production Method 8

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Ethanol ,  Toluene ,  Water ;  rt; 19 h, 75 °C
Reference
Organic electroluminescent device
, World Intellectual Property Organization, , ,

Production Method 9

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Ethanol ,  Toluene ,  Water ;  4.5 h, 80 °C
Reference
Arylamine polymers, organic field-effect light-emitting element materials, arylamine polymer compositions and organic field-effect light-emitting elements, organic EL displays, and organic EL illuminating
, Japan, , ,

Production Method 10

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Ethanol ,  Toluene ,  Water ;  4.5 h, 80 °C
Reference
Polymer compound, reticulated polymer compound produced by crosslinking the polymer compound, composition for organic electroluminescent (EL) element, organic EL element, organic EL display, and organic EL lighting
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Production Method 11

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Ethanol ,  Toluene ,  Water ;  rt; rt → 80 °C; 4 h, 80 °C
Reference
Compound for organic electroluminescent device and organic electroluminescent device using the same
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Production Method 12

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Ethanol ,  Toluene ,  Water ;  4.5 h, 80 °C
Reference
Manufacture of conjugated polymer, insolubilized polymer and compositions for organic electroluminescent device material, organic EL display and organic EL illuminator
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Production Method 13

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Ethanol ,  Toluene ,  Water ;  rt; 8 h, reflux
Reference
Diarylpyrenes, materials and compositions containing them for organic electroluminescent devices, and the organic electroluminescent devices
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Production Method 14

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Ethanol ,  Toluene ,  Water ;  8 h, reflux
Reference
Organic electroluminescent devices, their films, compositions, and charge-transporting low molecule coating materials therefor
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1,3-Bis(3-bromophenyl)benzene Raw materials

1,3-Bis(3-bromophenyl)benzene Preparation Products

1,3-Bis(3-bromophenyl)benzene Suppliers

Amadis Chemical Company Limited
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(CAS:95962-62-2)1,3-Bis(3-bromophenyl)benzene
Order Number:A959137
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 16:09
Price ($):240.0
Suzhou Senfeida Chemical Co., Ltd
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(CAS:95962-62-2)3,3''-DibroMo-1,1':3',1''-terphenyl
Order Number:sfd20788
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally

1,3-Bis(3-bromophenyl)benzene Related Literature

Additional information on 1,3-Bis(3-bromophenyl)benzene

1,3-Bis(3-bromophenyl)benzene: A Comprehensive Overview

1,3-Bis(3-bromophenyl)benzene, also known by its CAS number 95962-62-2, is a significant compound in the field of organic chemistry, particularly in the study of aromatic systems and their derivatives. This compound has garnered attention due to its unique structural properties and potential applications in various scientific domains.

The molecular structure of 1,3-Bis(3-bromophenyl)benzene consists of a central benzene ring with two substituents: each at the 1 and 3 positions. These substituents are bromophenyl groups, specifically attached at the 3-position of each phenyl ring. This arrangement imparts a high degree of symmetry to the molecule, which is often advantageous in chemical reactions and material science applications.

Recent studies have highlighted the importance of 1,3-Bis(3-bromophenyl)benzene in the development of advanced materials. For instance, researchers have explored its use as a precursor in the synthesis of novel polycyclic aromatic hydrocarbons (PAHs), which are critical components in organic electronics and optoelectronic devices. The bromine atoms in the molecule serve as excellent leaving groups, facilitating nucleophilic substitution reactions that are essential in constructing complex molecular architectures.

In addition to its role in materials science, 1,3-Bis(3-bromophenyl)benzene has shown promise in medicinal chemistry. Its ability to form stable complexes with metal ions has led to investigations into its potential as a ligand in drug delivery systems and as a building block for bioactive molecules. Recent findings suggest that derivatives of this compound may exhibit anti-cancer properties, making it a valuable compound for further pharmacological research.

The synthesis of 1,3-Bis(3-bromophenyl)benzene typically involves multi-step processes that include Friedel-Crafts alkylation or coupling reactions. Recent advancements in catalytic methods have improved the efficiency and selectivity of these reactions, enabling the production of higher purity compounds. These improvements are crucial for maintaining consistency in downstream applications where precise molecular structures are paramount.

1,3-Bis(3-bromophenyl)benzene's electronic properties have also been studied extensively. Computational chemistry models have revealed that the molecule exhibits unique charge transport characteristics, which could be leveraged in designing next-generation organic semiconductors. Experimental studies corroborate these findings, showing that thin films of this compound display favorable electrical conductivity under specific conditions.

In terms of environmental considerations, researchers have evaluated the biodegradation potential and ecological impact of 1,3-Bis(3-bromophenyl)benzene. While initial studies suggest that it is not readily biodegradable under natural conditions, ongoing research aims to develop eco-friendly synthesis pathways and recycling methods to mitigate any adverse environmental effects.

The versatility of 1,3-Bis(3-bromophenyl)benzene across multiple disciplines underscores its importance as a key compound in contemporary chemical research. Its role as both a building block and a functional material highlights the need for continued exploration into its properties and applications.

In conclusion, 1,3-Bis(3-bromophenyl)benzene, with its CAS number 95962-62-2, stands as a pivotal compound in advancing our understanding and utilization of aromatic systems. As research progresses, it is anticipated that this compound will unlock new possibilities in materials science, medicinal chemistry, and beyond.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:95962-62-2)1,3-Bis(3-bromophenyl)benzene
A959137
Purity:99%
Quantity:5g
Price ($):240.0
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:95962-62-2)3,3''-DibroMo-1,1':3',1''-terphenyl
sfd20788
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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