Cas no 1823344-14-4 (Ethyl 5-chloro-4-fluoro-2-methoxybenzoate)
Ethyl 5-chloro-4-fluoro-2-methoxybenzoate Chemical and Physical Properties
Names and Identifiers
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- ethyl 5-chloro-4-fluoro-2-methoxybenzoate
- CL9464
- AM807592
- A930081
- ethyl5-chloro-4-fluoro-2-methoxybenzoate
- AKOS027335054
- AS-46353
- 1823344-14-4
- MFCD26127344
- Ethyl 5-chloro-4-fluoro-2-methoxybenzoate
-
- MDL: MFCD26127344
- Inchi: 1S/C10H10ClFO3/c1-3-15-10(13)6-4-7(11)8(12)5-9(6)14-2/h4-5H,3H2,1-2H3
- InChI Key: STVPQPSITOONQH-UHFFFAOYSA-N
- SMILES: ClC1C(=CC(=C(C(=O)OCC)C=1)OC)F
Computed Properties
- Exact Mass: 232.0302500g/mol
- Monoisotopic Mass: 232.0302500g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 225
- 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: 2.8
- Topological Polar Surface Area: 35.5
Ethyl 5-chloro-4-fluoro-2-methoxybenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E940915-50mg |
Ethyl 5-chloro-4-fluoro-2-methoxybenzoate |
1823344-14-4 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E940915-100mg |
Ethyl 5-chloro-4-fluoro-2-methoxybenzoate |
1823344-14-4 | 100mg |
$ 70.00 | 2022-06-05 | ||
| TRC | E940915-500mg |
Ethyl 5-chloro-4-fluoro-2-methoxybenzoate |
1823344-14-4 | 500mg |
$ 275.00 | 2022-06-05 | ||
| abcr | AB457863-1 g |
Ethyl 5-chloro-4-fluoro-2-methoxybenzoate |
1823344-14-4 | 1g |
€329.10 | 2023-04-22 | ||
| abcr | AB457863-5 g |
Ethyl 5-chloro-4-fluoro-2-methoxybenzoate |
1823344-14-4 | 5g |
€880.60 | 2023-04-22 | ||
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTYC0575-1G |
ethyl 5-chloro-4-fluoro-2-methoxybenzoate |
1823344-14-4 | 95% | 1g |
¥ 1,042.00 | 2023-04-14 | |
| abcr | AB457863-1g |
Ethyl 5-chloro-4-fluoro-2-methoxybenzoate; . |
1823344-14-4 | 1g |
€335.50 | 2024-08-03 | ||
| abcr | AB457863-5g |
Ethyl 5-chloro-4-fluoro-2-methoxybenzoate; . |
1823344-14-4 | 5g |
€880.60 | 2024-06-06 | ||
| Ambeed | A737954-1g |
Ethyl 5-chloro-4-fluoro-2-methoxybenzoate |
1823344-14-4 | 98% | 1g |
$161.0 | 2024-07-28 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTYC0575-100mg |
ethyl 5-chloro-4-fluoro-2-methoxybenzoate |
1823344-14-4 | 95% | 100mg |
¥310.0 | 2024-04-23 |
Ethyl 5-chloro-4-fluoro-2-methoxybenzoate Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
Additional information on Ethyl 5-chloro-4-fluoro-2-methoxybenzoate
Comprehensive Overview of Ethyl 5-chloro-4-fluoro-2-methoxybenzoate (CAS 1823344-14-4): Properties, Applications, and Industry Insights
Ethyl 5-chloro-4-fluoro-2-methoxybenzoate, identified by its CAS number 1823344-14-4, is a specialized organic compound with significant relevance in pharmaceutical and agrochemical research. This ester derivative, featuring a chloro, fluoro, and methoxy functional group arrangement, exhibits unique physicochemical properties that make it valuable for synthetic applications. Its molecular structure, C10H10ClFO3, combines halogenated and alkoxy motifs, enabling diverse reactivity in cross-coupling reactions and intermediate synthesis.
In recent years, the demand for fluorinated benzoates like Ethyl 5-chloro-4-fluoro-2-methoxybenzoate has surged due to their role in developing bioactive molecules. Researchers frequently search for "halogenated aromatic esters in drug discovery" or "CAS 1823344-14-4 solubility data," reflecting industry interest in its application potential. The compound's lipophilicity and electron-withdrawing properties contribute to its utility in designing enzyme inhibitors and antimicrobial agents, aligning with trends in targeted therapy development.
Synthetic protocols for CAS 1823344-14-4 often involve esterification of corresponding benzoic acid derivatives under mild conditions. Analytical characterization via HPLC, NMR, and mass spectrometry confirms its high purity (>98%), a critical parameter for regulatory compliance in pharmaceutical intermediates. Environmental considerations have also prompted studies on its "biodegradation pathways" and "green synthesis methods," addressing sustainability concerns in chemical manufacturing.
The compound's stability under ambient conditions makes it suitable for industrial-scale production, though proper storage in amber glass containers is recommended to prevent photodegradation. Patent literature reveals its use in "crop protection formulations" and "OLED material precursors," demonstrating cross-sector versatility. Recent publications highlight its role in synthesizing non-steroidal anti-inflammatory drug (NSAID) analogs, responding to the growing need for novel pain management solutions.
Quality control specifications for Ethyl 5-chloro-4-fluoro-2-methoxybenzoate typically include limits for residual solvents (<1,000 ppm) and heavy metals (<10 ppm), meeting ICH Q3A guidelines. Suppliers increasingly provide "REACH-compliant technical dossiers" and "structure-activity relationship (SAR) data" to support customer R&D workflows. The compound's melting point (72-75°C) and logP value (2.8) are frequently cited in pharmacokinetic modeling studies.
Emerging applications include its use as a building block for PET radiotracers in diagnostic imaging, capitalizing on the fluorine-18 isotope incorporation potential. This aligns with the pharmaceutical industry's focus on "theranostic compounds" and "precision medicine platforms." Computational chemistry studies utilizing molecular docking simulations further explore its interactions with biological targets, addressing popular search queries about "computer-aided drug design with halogenated aromatics."
Market analysis indicates steady growth for multifunctional benzoate esters, driven by their cost-effectiveness compared to bespoke intermediates. Regulatory updates regarding halogenated compound restrictions have prompted innovation in alternative synthetic routes, with microwave-assisted synthesis emerging as an energy-efficient option. The compound's vapor pressure (3.2×10-4 mmHg at 25°C) and Henry's Law constant data are increasingly requested for environmental impact assessments.
In analytical method development, Ethyl 5-chloro-4-fluoro-2-methoxybenzoate serves as a reference standard for LC-MS calibration in residue analysis. Its distinctive fragmentation pattern assists in mass spectral library creation, supporting food safety testing protocols. Recent advancements in continuous flow chemistry have improved its production efficiency, reducing waste generation by 40% compared to batch processes - a key consideration for ESG-focused manufacturers.
The compound's crystalline structure, determined by X-ray diffraction, reveals intermolecular interactions that influence formulation stability. These findings contribute to ongoing research in "co-crystal engineering" for enhanced API performance. Storage stability studies under ICH Q1A conditions demonstrate its robustness, with <95% purity retention after 24 months at -20°C, addressing common supply chain concerns.
Future research directions may explore its potential in metal-organic frameworks (MOFs) for catalytic applications or as a monomer for high-performance polymers. The compound's balanced hydrophilic-lipophilic character positions it as a candidate for surfactant design, particularly in specialty cleaning formulations. As regulatory landscapes evolve, documentation of its ecological toxicity profile and green chemistry metrics will become increasingly vital for commercial success.
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