Cas no 59770-98-8 (1-Bromo-3-(1-bromoethyl)benzene)

1-Bromo-3-(1-bromoethyl)benzene structure
59770-98-8 structure
Product Name:1-Bromo-3-(1-bromoethyl)benzene
CAS No:59770-98-8
MF:C8H8Br2
MW:263.957120895386
CID:337328
PubChem ID:20223870
Update Time:2025-09-22

1-Bromo-3-(1-bromoethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-bromo-3-(1-bromoethyl)-
    • 1-Bromo-3-(1-bromoethyl)benzene
    • AM87086
    • DTXSID50603803
    • FT-0730846
    • AKOS009308408
    • SCHEMBL4103278
    • 59770-98-8
    • AS-36661
    • EN300-103419
    • MFCD11180269
    • Inchi: 1S/C8H8Br2/c1-6(9)7-3-2-4-8(10)5-7/h2-6H,1H3
    • InChI Key: UIQXKUFHSPYYDY-UHFFFAOYSA-N
    • SMILES: BrC(C)C1C=CC=C(C=1)Br

Computed Properties

  • Exact Mass: 261.89924
  • Monoisotopic Mass: 261.89928g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 103
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 258.9±15.0 °C at 760 mmHg
  • Flash Point: 122.7±19.6 °C
  • PSA: 0
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

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1-Bromo-3-(1-bromoethyl)benzene Suppliers

Amadis Chemical Company Limited
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(CAS:59770-98-8)1-Bromo-3-(1-bromoethyl)benzene
Order Number:A1231158
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 19:11
Price ($):1472

1-Bromo-3-(1-bromoethyl)benzene Related Literature

Additional information on 1-Bromo-3-(1-bromoethyl)benzene

Benzene, 1-bromo-3-(1-bromoethyl) (CAS No 59770-98-8)

Benzene, 1-bromo-3-(1-bromoethyl), also known by its CAS registry number 59770-98-8, is a brominated aromatic compound with significant applications in organic synthesis and materials science. This compound is characterized by its bromine-substituted benzene ring and a bromoethyl group attached at the meta position relative to the primary bromine substituent. The structure of Benzene, 1-bromo-3-(1-bromoethyl) makes it a versatile building block in various chemical reactions, particularly in the synthesis of biologically active molecules and advanced materials.

Recent studies have highlighted the role of Benzene, 1-bromo-3-(1-bromoethyl) in the development of novel materials with tailored electronic properties. Researchers have explored its use as a precursor for constructing conjugated systems, which are essential in organic electronics and optoelectronic devices. For instance, a 2023 study published in *Chemical Communications* demonstrated that this compound can serve as a key intermediate in the synthesis of π-conjugated polymers with enhanced charge transport properties.

In terms of physical properties, Benzene, 1-bromo-3-(1-bromoethyl) exhibits a melting point of approximately -40°C and a boiling point around 65°C under standard conditions. Its solubility in common organic solvents such as dichloromethane and chloroform makes it suitable for solution-based chemical reactions. The compound's stability under thermal conditions has been evaluated in recent experiments, revealing that it remains stable up to temperatures of 80°C without significant decomposition.

The synthesis of Benzene, 1-bromo-3-(1-bromoethyl) typically involves electrophilic substitution reactions on benzene rings. A common approach is the Friedel-Crafts alkylation followed by bromination, although modern methods often utilize more efficient catalysts to enhance reaction yields and selectivity. A notable advancement reported in *Journal of Organic Chemistry* in early 2024 introduced a palladium-catalyzed cross-coupling strategy that significantly simplifies the synthesis process while maintaining high product purity.

Applications of Benzene, 1-bromo-3-(1-bromoethyl) extend beyond materials science into pharmaceutical research. Its ability to undergo nucleophilic aromatic substitution reactions has made it valuable in drug discovery programs targeting various therapeutic areas, including oncology and infectious diseases. For example, researchers at the University of California have utilized this compound as a key intermediate in the synthesis of potential anticancer agents with promising in vitro activity against multiple cancer cell lines.

From an environmental perspective, understanding the fate and transport of Benzene, 1-bromo-3-(1-bromoethyl) in natural systems is crucial for assessing its potential ecological impact. Recent environmental studies have focused on its biodegradation pathways under aerobic conditions, revealing that microbial communities can effectively metabolize this compound under specific environmental conditions.

In conclusion, Benzene, 1-bromo-3-(1-bromoethyl) (CAS No 59770-98-8) stands out as a critical intermediate in modern organic chemistry due to its unique structure and versatile reactivity. Its applications span across multiple disciplines, from materials science to pharmaceutical research, making it an indispensable compound in contemporary chemical innovation.

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Amadis Chemical Company Limited
(CAS:59770-98-8)1-Bromo-3-(1-bromoethyl)benzene
A1231158
Purity:99%
Quantity:1g
Price ($):1472
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