Cas no 55102-99-3 (1-Bromo-4-(4-fluorophenoxy)benzene)
1-Bromo-4-(4-fluorophenoxy)benzene Chemical and Physical Properties
Names and Identifiers
-
- 1-Bromo-4-(4-fluorophenoxy)benzene
- 1-(4-fluorophenoxy)-4-bromobenzene
- 4-bromo-4'-fluorodiphenylether
- Benzene,1-bromo-4-(4-fluorophenoxy)
- DB-363449
- CS-0192900
- 55102-99-3
- AB91721
- E89347
- SCHEMBL805908
- AKOS015835622
- BS-28570
- Benzene, 1-bromo-4-(4-fluorophenoxy)-
- MFCD00028101
- DTXSID70203627
-
- MDL: MFCD00028101
- Inchi: 1S/C12H8BrFO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
- InChI Key: QAOAGSVWMAMCGQ-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=CC=1)OC1C=CC(=CC=1)F
Computed Properties
- Exact Mass: 265.97400
- Monoisotopic Mass: 265.97426g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 184
- 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: 3.5
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23000
- LogP: 4.38050
1-Bromo-4-(4-fluorophenoxy)benzene Customs Data
- HS CODE:2909309090
- Customs Data:
China Customs Code:
2909309090Overview:
2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
1-Bromo-4-(4-fluorophenoxy)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B692863-100mg |
1-Bromo-4-(4-fluorophenoxy)benzene |
55102-99-3 | 100mg |
$ 81.00 | 2023-04-18 | ||
| TRC | B692863-250mg |
1-Bromo-4-(4-fluorophenoxy)benzene |
55102-99-3 | 250mg |
$ 155.00 | 2023-04-18 | ||
| TRC | B692863-500mg |
1-Bromo-4-(4-fluorophenoxy)benzene |
55102-99-3 | 500mg |
$ 236.00 | 2023-04-18 | ||
| TRC | B692863-1g |
1-Bromo-4-(4-fluorophenoxy)benzene |
55102-99-3 | 1g |
$ 333.00 | 2023-04-18 | ||
| Advanced ChemBlocks | P37480-250MG |
1-Bromo-4-(4-fluorophenoxy)benzene |
55102-99-3 | 95% | 250MG |
$95 | 2023-09-15 | |
| Advanced ChemBlocks | P37480-1G |
1-Bromo-4-(4-fluorophenoxy)benzene |
55102-99-3 | 95% | 1G |
$160 | 2023-09-15 | |
| Advanced ChemBlocks | P37480-5G |
1-Bromo-4-(4-fluorophenoxy)benzene |
55102-99-3 | 95% | 5G |
$580 | 2023-09-15 | |
| A2B Chem LLC | AG19764-500mg |
1-Bromo-4-(4-fluorophenoxy)benzene |
55102-99-3 | 97% | 500mg |
$123.00 | 2024-04-19 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1263570-250mg |
1-Bromo-4-(4-fluorophenoxy)benzene |
55102-99-3 | 98% | 250mg |
¥715.00 | 2024-05-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1263570-1g |
1-Bromo-4-(4-fluorophenoxy)benzene |
55102-99-3 | 98% | 1g |
¥1469.00 | 2024-05-09 |
1-Bromo-4-(4-fluorophenoxy)benzene Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
Additional information on 1-Bromo-4-(4-fluorophenoxy)benzene
Professional Introduction to 1-Bromo-4-(4-fluorophenoxy)benzene (CAS No. 55102-99-3)
1-Bromo-4-(4-fluorophenoxy)benzene, a compound with the chemical formula C?H?BrFO?, is a significant intermediate in the pharmaceutical and agrochemical industries. This compound is characterized by its bromine substituent and the presence of a phenoxy group, which makes it a versatile building block for synthesizing more complex molecules. The CAS number 55102-99-3 provides a unique identifier for this substance, ensuring consistency and accuracy in its use across various applications.
The bromo and fluorophenoxy functional groups in 1-Bromo-4-(4-fluorophenoxy)benzene contribute to its reactivity and utility in organic synthesis. The bromine atom can participate in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, which are pivotal in constructing biaryl structures found in many active pharmaceutical ingredients (APIs). Meanwhile, the 4-fluorophenoxy moiety introduces fluorine, an element known for its ability to modulate metabolic stability and binding affinity in drug molecules.
Recent advancements in medicinal chemistry have highlighted the importance of fluorinated aromatic compounds in developing novel therapeutics. The fluorophenoxy group enhances the lipophilicity of drug candidates, improving their membrane permeability and bioavailability. This property is particularly valuable in designing small-molecule inhibitors targeting enzymes and receptors involved in critical biological pathways.
In the context of drug discovery, 1-Bromo-4-(4-fluorophenoxy)benzene has been utilized as a precursor in the synthesis of kinase inhibitors. Kinases are enzymes that play a crucial role in cell signaling pathways, and their dysregulation is associated with various diseases, including cancer. By incorporating fluorine into kinase inhibitors, researchers can achieve higher selectivity and potency. For instance, studies have demonstrated that fluorinated aryl groups can improve binding interactions with target proteins, leading to more effective therapeutic outcomes.
The phenoxy moiety also contributes to the pharmacological profile of derived compounds. Phenoxy groups are commonly found in agrochemicals and pharmaceuticals due to their ability to enhance solubility and bioavailability. In particular, phenoxyacetic acids and their derivatives are well-known herbicides and fungicides. The presence of a bromine atom allows for further functionalization, enabling the creation of diverse chemical entities with tailored properties.
Current research is exploring the potential of 1-Bromo-4-(4-fluorophenoxy)benzene in developing treatments for neurological disorders. Fluorinated aromatic compounds have shown promise in modulating neurotransmitter systems, which are implicated in conditions such as Alzheimer's disease and Parkinson's disease. The ability to precisely modify the structure of these compounds through cross-coupling reactions allows chemists to optimize their pharmacokinetic profiles and target specific disease pathways.
The synthesis of 1-Bromo-4-(4-fluorophenoxy)benzene typically involves halogenation and etherification reactions. Advanced synthetic methodologies have been developed to improve yield and purity, making this compound more accessible for industrial applications. Techniques such as palladium-catalyzed cross-coupling reactions have enabled the efficient construction of complex aryl ethers, which are essential intermediates in many drug syntheses.
The versatility of 1-Bromo-4-(4-fluorophenoxy)benzene extends beyond pharmaceuticals into materials science. Fluorinated aromatic compounds are used in the development of liquid crystals, organic light-emitting diodes (OLEDs), and advanced polymers due to their electronic properties. The bromo substituent facilitates further modifications, allowing for the creation of materials with tailored optical and electronic characteristics.
In conclusion, 1-Bromo-4-(4-fluorophenoxy)benzene (CAS No. 55102-99-3) is a valuable compound with broad applications in pharmaceuticals, agrochemicals, and materials science. Its unique structural features make it an excellent starting material for synthesizing complex molecules with enhanced biological activity. As research continues to uncover new therapeutic targets and materials applications, the significance of this compound is expected to grow further.
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