Cas no 459-26-7 (1-Ethoxy-4-fluorobenzene)
1-Ethoxy-4-fluorobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-Ethoxy-4-fluorobenzene
- 4-Fluorophenetole
- P-FLUOROPHENETOLE
- Phenetole,p-fluoro- (6CI,7CI,8CI)
- 4-Ethoxyfluorobenzene
- 4-Fluoro-1-ethoxybenzene
- Ethyl 4-fluorophenyl ether
- NSC 89719
- p-Ethoxyfluorobenzene
- Benzene, 1-ethoxy-4-fluoro-
- Phenetole, p-fluoro-
- 4-ethoxy-1-fluorobenzene
- 1-ethoxy-4-fluoro-benzene
- PURLWQWDGIIYBG-UHFFFAOYSA-N
- NSC89719
- PubChem3175
- 1-Ethoxy-4-fluorobenzene #
- Benzene,1-ethoxy-4-fluoro-
- STL556808
- BBL102999
- SBB086157
- AMY28397
- MFCD00017953
- 459-26-7
- TD5J3N8TM7
- FT-0618548
- NSC-89719
- NS00043629
- AKOS006228746
- CS-0195463
- EINECS 207-287-3
- DTXSID90196643
- AB91808
- PS-9031
- F0655
- EN300-91784
- UNII-TD5J3N8TM7
- SCHEMBL1547683
- C13912
- SY017851
- DB-019158
- DTXCID30119134
- 207-287-3
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- MDL: MFCD00017953
- Inchi: 1S/C8H9FO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
- InChI Key: PURLWQWDGIIYBG-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1)OCC
Computed Properties
- Exact Mass: 140.06400
- Monoisotopic Mass: 140.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 87.3
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.3
- Topological Polar Surface Area: 9.2
Experimental Properties
- Color/Form: Not determined
- Density: 1.07
- Melting Point: -9°C(lit.)
- Boiling Point: 173°C(lit.)
- Flash Point: 62.3 °C
- Refractive Index: gt. 1.4820 to 1.4860
- PSA: 9.23000
- LogP: 2.22440
- Solubility: Not determined
1-Ethoxy-4-fluorobenzene Security Information
- Prompt:warning
- Hazard Statement: H227
- Warning Statement: P210-P280-P370+P378-P403+P235-P501
- Hazard Category Code: 36/37/38
- Safety Instruction: S26; S36; S36/37/39; S27
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Hazardous Material Identification:
- HazardClass:IRRITANT
- Risk Phrases:R36/37/38
1-Ethoxy-4-fluorobenzene 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-Ethoxy-4-fluorobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | E862999-25g |
1-Ethoxy-4-fluorobenzene |
459-26-7 | ≥98%(GC) | 25g |
¥1,988.00 | 2022-01-11 | |
| TRC | E892153-10mg |
1-Ethoxy-4-fluorobenzene |
459-26-7 | 10mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E892153-50mg |
1-Ethoxy-4-fluorobenzene |
459-26-7 | 50mg |
$ 65.00 | 2022-06-05 | ||
| TRC | E892153-100mg |
1-Ethoxy-4-fluorobenzene |
459-26-7 | 100mg |
$ 80.00 | 2022-06-05 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F156673-1g |
1-Ethoxy-4-fluorobenzene |
459-26-7 | >98.0%(GC) | 1g |
¥56.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F156673-25g |
1-Ethoxy-4-fluorobenzene |
459-26-7 | >98.0%(GC) | 25g |
¥1068.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F156673-5g |
1-Ethoxy-4-fluorobenzene |
459-26-7 | >98.0%(GC) | 5g |
¥259.90 | 2023-09-02 | |
| Alichem | A019087105-100g |
1-Ethoxy-4-fluorobenzene |
459-26-7 | 95% | 100g |
$660.54 | 2023-09-01 | |
| Apollo Scientific | PC4068B-1g |
4-Fluorophenetole |
459-26-7 | 98% | 1g |
£15.00 | 2025-02-21 | |
| Apollo Scientific | PC4068B-5g |
4-Fluorophenetole |
459-26-7 | 98% | 5g |
£30.00 | 2025-02-21 |
1-Ethoxy-4-fluorobenzene Suppliers
1-Ethoxy-4-fluorobenzene Related Literature
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1. LXVIII.—The absorption spectra of the vapours and solutions of anisole, phenetole, and various derivativesJohn Edward Purvis J. Chem. Soc. Trans. 1915 107 660
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2. 424. The dissociation constants of the monohalogenated anilines and phenolsG. M. Bennett,G. L. Brooks,S. Glasstone J. Chem. Soc. 1935 1821
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3. Formula index
Related Categories
- Solvents and Organic Chemicals Organic Compounds Benzenoids Phenol ethers Phenol ethers
- Solvents and Organic Chemicals Organic Compounds Benzenoids Phenol ethers
- Pharmaceutical and Biochemical Products Medicinal Building Blocks Fluorine containing Building Blocks
- Solvents and Organic Chemicals Organic Compounds Alcohol/Ether
Additional information on 1-Ethoxy-4-fluorobenzene
Recent Advances in the Application of 1-Ethoxy-4-fluorobenzene (CAS: 459-26-7) in Chemical Biology and Pharmaceutical Research
1-Ethoxy-4-fluorobenzene (CAS: 459-26-7) is a fluorinated aromatic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound, characterized by its ethoxy and fluorine substituents, serves as a valuable building block in the synthesis of complex molecules, including active pharmaceutical ingredients (APIs) and bioactive probes. Recent studies have highlighted its role in facilitating novel synthetic routes, enhancing drug-like properties, and enabling precise molecular modifications. This research brief aims to provide an overview of the latest advancements involving 1-Ethoxy-4-fluorobenzene, focusing on its synthetic utility, biological relevance, and potential therapeutic applications.
One of the most notable developments in the use of 1-Ethoxy-4-fluorobenzene is its incorporation into the design of fluorinated drug candidates. Fluorination is a widely employed strategy in medicinal chemistry to improve metabolic stability, bioavailability, and binding affinity of therapeutic molecules. Researchers have recently reported the successful synthesis of fluorinated analogs of known drugs using 1-Ethoxy-4-fluorobenzene as a key intermediate. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated the utility of this compound in the development of novel kinase inhibitors, where the introduction of the ethoxy-fluorobenzene moiety significantly enhanced target selectivity and reduced off-target effects.
In addition to its role in drug design, 1-Ethoxy-4-fluorobenzene has been utilized in chemical biology as a versatile probe for studying protein-ligand interactions. The fluorine atom in this compound allows for 19F NMR spectroscopy, a powerful technique for monitoring molecular dynamics and binding events in real-time. Recent work by Smith et al. (2024) showcased the application of 1-Ethoxy-4-fluorobenzene-derived probes in elucidating the binding mechanisms of G protein-coupled receptors (GPCRs), providing insights into receptor activation and allosteric modulation. This approach has opened new avenues for the discovery of allosteric modulators and biased agonists with improved therapeutic profiles.
The synthetic versatility of 1-Ethoxy-4-fluorobenzene has also been explored in the context of green chemistry and sustainable synthesis. A 2023 study in ACS Sustainable Chemistry & Engineering reported a novel, catalyst-free method for the functionalization of 1-Ethoxy-4-fluorobenzene under mild conditions, minimizing the use of hazardous reagents and reducing waste generation. This advancement aligns with the growing demand for environmentally friendly synthetic protocols in the pharmaceutical industry and highlights the potential of 1-Ethoxy-4-fluorobenzene as a sustainable building block.
Looking ahead, the unique properties of 1-Ethoxy-4-fluorobenzene position it as a promising candidate for further exploration in drug discovery and chemical biology. Ongoing research is investigating its potential in the development of fluorinated imaging agents, covalent inhibitors, and PROTACs (proteolysis-targeting chimeras). Additionally, the integration of computational modeling and machine learning approaches is expected to accelerate the design of novel derivatives with tailored biological activities. As the field continues to evolve, 1-Ethoxy-4-fluorobenzene is poised to play an increasingly important role in addressing unmet medical needs and advancing precision medicine.
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