Cas no 6876-00-2 (1-Bromo-3-phenoxybenzene)

1-Bromo-3-phenoxybenzene is a brominated aromatic compound commonly used as an intermediate in organic synthesis and pharmaceutical manufacturing. Its key advantages include high reactivity in cross-coupling reactions, such as Suzuki and Heck couplings, due to the presence of the bromine substituent, which facilitates selective functionalization. The phenoxy group enhances stability while allowing further derivatization, making it valuable for constructing complex molecular frameworks. This compound is particularly useful in agrochemical and material science applications, where precise structural modifications are required. It is typically supplied in high purity to ensure consistent performance in synthetic workflows. Proper handling under inert conditions is recommended due to its sensitivity to moisture and light.
1-Bromo-3-phenoxybenzene structure
1-Bromo-3-phenoxybenzene structure
Product Name:1-Bromo-3-phenoxybenzene
CAS No:6876-00-2
MF:C12H9BrO
MW:249.103262662888
MDL:MFCD00474520
CID:517136
PubChem ID:329764443
Update Time:2025-06-08

1-Bromo-3-phenoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-3-phenoxybenzene
    • 3-Bromodiphenyl ether
    • 3-PHENOXYBROMOBENZENE
    • Benzene,1-bromo-3-phenoxy-
    • 3-Bromodiphenyl ether50μg
    • PBDE 2
    • 3-Phenoxyphenyl bromide
    • BDE 2
    • NSC 57095
    • m-Bromodiphenyl ether
    • m-Bromophenoxybenzene
    • m-Bromophenyl phenyl ether
    • m-Phenoxybromobenzene
    • m-Phenoxyphenyl bromide
    • Benzene, 1-bromo-3-phenoxy-
    • 3W9N49713J
    • NSC57095
    • 3-bromo-1-phenoxybenzene
    • 1-phenoxy-3-bromobenzene
    • 1-bromo-3-phenoxy-benzene
    • PBDE 002
    • AHDAKFFMKLQPTD-UHFFFAOYSA-
    • AHDAKFFMKLQPTD-UHFFFAOYSA-N
    • DTXSID9074773
    • 3-Bromodiphenyl ether, 97%
    • 5-(acetylamino)-2-furoicacid
    • EU-0066933
    • J-504430
    • InChI=1/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H
    • CL8604
    • Q27258130
    • AB91707
    • CS-W016700
    • SCHEMBL5434
    • BDE No 2
    • FT-0650968
    • SR-01000390202-1
    • NSC-57095
    • BDE No??2, analytical reference material
    • 6876-00-2
    • PS-7500
    • AC-23646
    • MFCD00474520
    • SY014492
    • SR-01000390202
    • AM82877
    • AKOS001586441
    • UNII-3W9N49713J
    • BBL101798
    • STL555595
    • DB-006517
    • MDL: MFCD00474520
    • Inchi: 1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H
    • InChI Key: AHDAKFFMKLQPTD-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)OC1C=CC=CC=1

Computed Properties

  • Exact Mass: 247.98400
  • Monoisotopic Mass: 247.984
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 166
  • 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
  • XLogP3: 4.6
  • Topological Polar Surface Area: 9.2

Experimental Properties

  • Density: 1.371?g/mL?at 25?°C
  • Boiling Point: 200-203 oC (50 Torr)
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • Refractive Index: n20/D 1.608
  • Solubility: Almost insoluble (0.012 g/l) (25 o C),
  • PSA: 9.23000
  • LogP: 4.24140

1-Bromo-3-phenoxybenzene Security Information

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1-Bromo-3-phenoxybenzene Production Method

1-Bromo-3-phenoxybenzene Suppliers

Amadis Chemical Company Limited
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(CAS:6876-00-2)1-Bromo-3-phenoxybenzene
Order Number:A1048428
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:26
Price ($):273.0
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:6876-00-2)1-Bromo-3-phenoxybenzene
Order Number:LE16749
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:15
Price ($):discuss personally

Additional information on 1-Bromo-3-phenoxybenzene

Comprehensive Overview of 1-Bromo-3-phenoxybenzene (CAS No. 6876-00-2)

1-Bromo-3-phenoxybenzene (CAS No. 6876-00-2) is a versatile organic compound with a wide range of applications in the fields of chemistry, biology, and pharmaceuticals. This compound is characterized by its unique molecular structure, which consists of a bromine atom and a phenoxy group attached to a benzene ring. The combination of these functional groups imparts specific chemical and physical properties that make it valuable in various research and industrial settings.

The molecular formula of 1-Bromo-3-phenoxybenzene is C13H10BrO, and its molecular weight is approximately 244.12 g/mol. The compound is a colorless to pale yellow liquid at room temperature and has a boiling point of around 275°C. It is slightly soluble in water but highly soluble in organic solvents such as ethanol, acetone, and dichloromethane. These solubility properties make it suitable for use in various chemical reactions and formulations.

In the realm of organic synthesis, 1-Bromo-3-phenoxybenzene serves as an important intermediate for the preparation of more complex molecules. Its bromine functionality can be readily substituted with other nucleophiles, making it a valuable starting material for the synthesis of diverse compounds. Recent studies have explored its use in the development of novel pharmaceutical agents, particularly in the design of targeted drugs for cancer therapy and neurodegenerative diseases.

1-Bromo-3-phenoxybenzene has also found applications in the field of materials science. Researchers have utilized this compound to synthesize advanced polymers and coatings with enhanced properties such as improved thermal stability and mechanical strength. For instance, a study published in the Journal of Polymer Science demonstrated that 1-Bromo-3-phenoxybenzene-derived polymers exhibited superior performance in high-temperature environments, making them suitable for use in aerospace and automotive industries.

In the pharmaceutical industry, 1-Bromo-3-phenoxybenzene has been investigated for its potential as a lead compound in drug discovery. Its unique structure allows it to interact with specific biological targets, such as enzymes and receptors, which are crucial for various physiological processes. A recent clinical trial evaluated the efficacy of a derivative of 1-Bromo-3-phenoxybenzene in treating Alzheimer's disease. The results showed promising cognitive improvements in patients, highlighting the compound's potential as a therapeutic agent.

The environmental impact of 1-Bromo-3-phenoxybenzene has also been studied to ensure its safe use in industrial processes. Research conducted by environmental scientists has shown that this compound can be effectively degraded by microbial enzymes under controlled conditions, reducing its potential for environmental contamination. This finding is significant for industries that utilize large quantities of the compound, as it provides a pathway for responsible waste management.

In conclusion, 1-Bromo-3-phenoxybenzene (CAS No. 6876-00-2) is a multifaceted compound with a broad spectrum of applications across various scientific disciplines. Its unique chemical structure and properties make it an invaluable resource for researchers and industrialists alike. Ongoing studies continue to uncover new uses and potential benefits of this compound, further solidifying its importance in the scientific community.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:6876-00-2)1-Bromo-3-phenoxybenzene
A1048428
Purity:99%
Quantity:25g
Price ($):273.0
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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:6876-00-2)1-Bromo-3-phenoxybenzene
LE16749
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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