Cas no 1261992-73-7 (2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid)
2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid Chemical and Physical Properties
Names and Identifiers
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- AKOS010523023
- 1261992-73-7
- 2-(2,4-DICHLOROPHENYL)-4-FLUOROBENZOIC ACID
- MFCD13328328
- 2',4'-Dichloro-5-fluoro[1,1'-biphenyl]-2-carboxylic acid
- 2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid, 95%
- DTXSID80681437
- 2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid
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- MDL: MFCD13328328
- Inchi: 1S/C13H7Cl2FO2/c14-7-1-3-9(12(15)5-7)11-6-8(16)2-4-10(11)13(17)18/h1-6H,(H,17,18)
- InChI Key: HCLGIEMUEOJTBA-UHFFFAOYSA-N
- SMILES: ClC1C=C(C=CC=1C1C=C(C=CC=1C(=O)O)F)Cl
Computed Properties
- Exact Mass: 283.9807130Da
- Monoisotopic Mass: 283.9807130Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 313
- 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: 4.7
- Topological Polar Surface Area: 37.3?2
2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB329094-5g |
2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid, 95%; . |
1261992-73-7 | 95% | 5g |
€1159.00 | 2025-04-21 | |
| abcr | AB329094-5 g |
2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid, 95%; . |
1261992-73-7 | 95% | 5g |
€1159.00 | 2023-04-26 |
2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
Additional information on 2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid
Comprehensive Overview of 2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid (CAS No. 1261992-73-7)
2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid (CAS No. 1261992-73-7) is a fluorinated benzoic acid derivative with significant applications in pharmaceutical and agrochemical research. This compound, characterized by its unique dichlorophenyl and fluorobenzoic acid moieties, has garnered attention due to its potential as a building block in the synthesis of bioactive molecules. Researchers are increasingly exploring its utility in drug discovery, particularly in the development of enzyme inhibitors and receptor modulators.
The structural features of 2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid make it a versatile intermediate in organic synthesis. The presence of both chlorine and fluorine substituents enhances its reactivity, enabling selective functionalization for targeted applications. Recent studies highlight its role in the design of anti-inflammatory and antimicrobial agents, aligning with the growing demand for novel therapeutic compounds in the post-pandemic era.
In the context of agrochemicals, 2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid has been investigated for its potential as a precursor to herbicides and fungicides. With global agriculture facing challenges such as pesticide resistance and environmental sustainability, this compound offers a promising scaffold for developing next-generation crop protection agents. Its halogenated structure contributes to improved stability and efficacy, addressing key concerns in modern farming practices.
From a synthetic chemistry perspective, the compound's CAS No. 1261992-73-7 serves as a critical identifier for researchers sourcing high-purity materials. Laboratories prioritize its use in cross-coupling reactions and carboxylation processes, where precision and reproducibility are paramount. The rise of AI-driven drug discovery has further amplified interest in such specialized intermediates, as computational models increasingly rely on structurally diverse compounds for virtual screening.
Environmental and regulatory considerations surrounding halogenated compounds have also shaped the discourse around 2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid. While not classified as hazardous under current guidelines, its handling requires adherence to standard laboratory safety protocols. This aligns with broader industry trends toward green chemistry and sustainable synthetic routes, where researchers seek to minimize waste and energy consumption during production.
Analytical characterization of CAS No. 1261992-73-7 typically involves advanced techniques such as HPLC, NMR spectroscopy, and mass spectrometry. These methods ensure batch-to-batch consistency, a critical factor for pharmaceutical applications where impurity profiles directly impact drug safety. The compound's chromatographic behavior and spectral properties are well-documented, facilitating its integration into quality-controlled manufacturing processes.
Market dynamics for fluorobenzoic acid derivatives reflect increasing demand from both academic and industrial sectors. Suppliers of 1261992-73-7 often provide customized packaging and purity grades to meet diverse research needs, from small-scale medicinal chemistry projects to bulk agrochemical formulations. This flexibility positions the compound as a valuable asset in the fine chemicals supply chain.
Future research directions for 2-(2,4-Dichlorophenyl)-4-fluorobenzoic acid may explore its potential in material science applications, particularly in the design of functional polymers or liquid crystals. The compound's ability to influence molecular stacking and electronic properties through its aromatic system presents untapped opportunities beyond life sciences. Such interdisciplinary potential underscores the importance of continued investment in specialty chemical innovation.
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