Cas no 5710-64-5 (4-ethoxy-3-fluorobenzoic acid)
4-ethoxy-3-fluorobenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-ethoxy-3-fluoro-
- 3-FLUORO-4-ETHOXYBENZOIC ACID
- 4-Ethoxy-3-fluorobenzoic acid
- 4-ethoxy-3-fluorobenzoic acid
-
- MDL: MFCD11156592
- Inchi: 1S/C9H9FO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5H,2H2,1H3,(H,11,12)
- InChI Key: PRBYLMBZCTVHIP-UHFFFAOYSA-N
- SMILES: FC1C=C(C(=O)O)C=CC=1OCC
Computed Properties
- Exact Mass: 184.05357
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
Experimental Properties
- PSA: 46.53
4-ethoxy-3-fluorobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 070647-25g |
4-Ethoxy-3-fluorobenzoic acid |
5710-64-5 | 97% | 25g |
£2241.00 | 2022-03-01 | |
| Fluorochem | 070647-1g |
4-Ethoxy-3-fluorobenzoic acid |
5710-64-5 | 97% | 1g |
£394.00 | 2022-03-01 | |
| Fluorochem | 070647-5g |
4-Ethoxy-3-fluorobenzoic acid |
5710-64-5 | 97% | 5g |
£981.00 | 2022-03-01 | |
| Matrix Scientific | 178283-5g |
4-Ethoxy-3-fluorobenzoic acid, 95% |
5710-64-5 | 95% | 5g |
$1073.00 | 2023-09-10 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ8384-1G |
4-ethoxy-3-fluorobenzoic acid |
5710-64-5 | 95% | 1g |
¥ 2,098.00 | 2023-03-13 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ8384-5G |
4-ethoxy-3-fluorobenzoic acid |
5710-64-5 | 95% | 5g |
¥ 6,270.00 | 2023-03-13 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ8384-10G |
4-ethoxy-3-fluorobenzoic acid |
5710-64-5 | 95% | 10g |
¥ 9,411.00 | 2023-03-13 | |
| Enamine | EN300-1276375-1.0g |
4-ethoxy-3-fluorobenzoic acid |
5710-64-5 | 1g |
$0.0 | 2023-06-08 | ||
| Enamine | EN300-1276375-50mg |
4-ethoxy-3-fluorobenzoic acid |
5710-64-5 | 50mg |
$348.0 | 2023-10-01 | ||
| Enamine | EN300-1276375-100mg |
4-ethoxy-3-fluorobenzoic acid |
5710-64-5 | 100mg |
$364.0 | 2023-10-01 |
4-ethoxy-3-fluorobenzoic acid Suppliers
4-ethoxy-3-fluorobenzoic acid Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
Additional information on 4-ethoxy-3-fluorobenzoic acid
Comprehensive Guide to Benzoic acid, 4-ethoxy-3-fluoro- (CAS No. 5710-64-5): Properties, Applications, and Market Insights
Benzoic acid, 4-ethoxy-3-fluoro- (CAS No. 5710-64-5) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This fluorinated benzoic acid derivative combines unique chemical properties with versatile applications, making it a valuable intermediate in modern synthetic chemistry. With the growing demand for fluorinated organic compounds in drug development and specialty chemicals, understanding this molecule's characteristics becomes increasingly important for researchers and industry professionals.
The molecular structure of 4-ethoxy-3-fluorobenzoic acid features both ethoxy and fluoro substituents on the aromatic ring, which significantly influence its reactivity and physical properties. These functional groups contribute to its moderate polarity, with a calculated logP value suggesting balanced lipophilicity - a crucial factor for many pharmaceutical applications. Recent studies highlight its potential as a building block for bioactive molecules, particularly in the development of novel anti-inflammatory and antimicrobial agents.
In the pharmaceutical sector, Benzoic acid, 4-ethoxy-3-fluoro- serves as a key intermediate for synthesizing more complex molecules. Its structural features allow for diverse chemical modifications, making it valuable for creating drug candidates with improved metabolic stability and target specificity. The presence of both electron-donating (ethoxy) and electron-withdrawing (fluoro) groups creates interesting electronic effects that medicinal chemists can exploit in structure-activity relationship studies.
The agrochemical industry has shown increasing interest in fluorinated benzoic acid derivatives like CAS 5710-64-5 for developing new generation pesticides and herbicides. The compound's structural motifs appear in several crop protection agents currently under investigation, where the fluorine atom enhances biological activity while the ethoxy group improves environmental compatibility. This dual functionality addresses two major concerns in modern agriculture: efficacy and sustainability.
From a synthetic chemistry perspective, 4-ethoxy-3-fluorobenzoic acid offers several advantages. Its relatively straightforward synthesis from commercially available precursors makes it accessible for laboratory-scale preparations, while its crystalline nature facilitates purification. The compound's stability under various conditions makes it suitable for diverse organic transformations, including esterifications, amide formations, and transition metal-catalyzed coupling reactions.
Recent advancements in fluorine chemistry have further highlighted the importance of compounds like Benzoic acid, 4-ethoxy-3-fluoro-. Approximately 30% of all pharmaceuticals and 40% of agrochemicals now contain fluorine atoms, driving demand for specialized fluorinated building blocks. This trend aligns with current research priorities in medicinal chemistry, where fluorination strategies are employed to optimize drug properties such as metabolic stability, membrane permeability, and target binding affinity.
The global market for fluorinated fine chemicals continues to expand, with 5710-64-5 positioned as a niche but important player. Market analysts note growing procurement of such intermediates by contract research organizations and specialty chemical manufacturers. The compound's applications in material science are also being explored, particularly in the development of advanced polymers and liquid crystal materials where its specific substitution pattern may impart desirable electronic or optical properties.
Quality control and analytical characterization of Benzoic acid, 4-ethoxy-3-fluoro- typically involve modern techniques such as HPLC, GC-MS, and NMR spectroscopy. These methods ensure the compound meets the stringent purity requirements for pharmaceutical intermediates, typically ≥98% purity for most applications. Regulatory considerations for this compound vary by region, but it generally falls under standard chemical handling protocols rather than specialized restrictions.
Environmental and safety profiles of 4-ethoxy-3-fluorobenzoic acid have been studied as part of its development as a synthetic intermediate. While comprehensive toxicological data may be limited compared to commodity chemicals, available information suggests it requires standard laboratory precautions rather than extraordinary safety measures. This makes it relatively accessible for research purposes while still demanding proper chemical handling practices.
Future research directions for CAS 5710-64-5 may explore its potential in emerging areas such as PET radiopharmaceuticals (where fluorine-18 analogs could be valuable) or as a scaffold for metal-organic frameworks (MOFs). The compound's unique substitution pattern offers possibilities for creating novel materials with tailored properties, particularly in sensing applications or controlled release systems.
For researchers sourcing Benzoic acid, 4-ethoxy-3-fluoro-, several specialty chemical suppliers offer the compound in various quantities, typically ranging from gram to kilogram scales. Pricing reflects its status as a specialty intermediate, with costs influenced by purity grade and purchase volume. The development of more efficient synthetic routes could potentially make this compound more accessible for broader applications in the coming years.
In conclusion, 5710-64-5 represents an interesting case study in the growing importance of selectively fluorinated aromatics in modern chemistry. Its balanced properties, synthetic utility, and potential applications across multiple industries make it a compound worth watching as fluorine chemistry continues to evolve. As research into tailored fluorination strategies advances, derivatives like 4-ethoxy-3-fluorobenzoic acid will likely find even broader utility in cutting-edge chemical development.
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