Cas no 749230-45-3 (3,4-Difluoro-5-hydroxybenzoic acid)
3,4-Difluoro-5-hydroxybenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Difluoro-5-hydroxybenzoic acid
- 3-HYDROXY-4,5-DIFLUOROBENZOIC ACID
- 4,5-Difluoro-3-hydroxybenzoic acid
- AB21040
- AG-A-64156
- ANW-71170
- CTK7I7226
- MolPort-005-934-081
- WT496
- 749230-45-3
- 3,4-Difluoro-5-hydroxybenzoicacid
- SCHEMBL26690845
- AKOS006292683
- SY344827
- CS-0455475
- E84713
- MFCD04972452
- DS-4257
- A865774
- DTXSID80477670
- DB-330886
-
- MDL: MFCD04972452
- Inchi: 1S/C7H4F2O3/c8-4-1-3(7(11)12)2-5(10)6(4)9/h1-2,10H,(H,11,12)
- InChI Key: MJJFPTDSRAEDCC-UHFFFAOYSA-N
- SMILES: FC1C(=CC(C(=O)O)=CC=1O)F
Computed Properties
- Exact Mass: 174.01282
- Monoisotopic Mass: 174.01285031g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 186
- 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: 1.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
3,4-Difluoro-5-hydroxybenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A014002203-250mg |
3,4-Difluoro-5-hydroxybenzoic acid |
749230-45-3 | 97% | 250mg |
$470.40 | 2023-09-01 | |
| Alichem | A014002203-500mg |
3,4-Difluoro-5-hydroxybenzoic acid |
749230-45-3 | 97% | 500mg |
$847.60 | 2023-09-01 | |
| Alichem | A014002203-1g |
3,4-Difluoro-5-hydroxybenzoic acid |
749230-45-3 | 97% | 1g |
$1519.80 | 2023-09-01 | |
| TRC | D452100-25mg |
3,4-Difluoro-5-hydroxybenzoic Acid |
749230-45-3 | 25mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D452100-50mg |
3,4-Difluoro-5-hydroxybenzoic Acid |
749230-45-3 | 50mg |
$ 65.00 | 2022-06-05 | ||
| TRC | D452100-250mg |
3,4-Difluoro-5-hydroxybenzoic Acid |
749230-45-3 | 250mg |
$ 80.00 | 2022-06-05 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | H20670-250mg |
3,4-Difluoro-5-hydroxybenzoic acid |
749230-45-3 | 98% | 250mg |
¥2622.0 | 2023-09-07 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | H20670-1g |
3,4-Difluoro-5-hydroxybenzoic acid |
749230-45-3 | 98% | 1g |
¥5182.0 | 2023-09-07 | |
| eNovation Chemicals LLC | Y1002543-5g |
3-hydroxy-4,5-difluorobenzoic acid |
749230-45-3 | 95% | 5g |
$1630 | 2025-02-20 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1526142-500mg |
3,4-Difluoro-5-hydroxybenzoic acid |
749230-45-3 | 98% | 500mg |
¥4356.00 | 2024-07-28 |
3,4-Difluoro-5-hydroxybenzoic acid Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
Additional information on 3,4-Difluoro-5-hydroxybenzoic acid
Comprehensive Overview of 3,4-Difluoro-5-hydroxybenzoic acid (CAS No. 749230-45-3): Properties, Applications, and Research Insights
3,4-Difluoro-5-hydroxybenzoic acid (CAS No. 749230-45-3) is a fluorinated benzoic acid derivative gaining attention in pharmaceutical and agrochemical research due to its unique structural properties. This compound features a hydroxyl group and two fluorine atoms strategically positioned on the aromatic ring, enhancing its reactivity and potential as a building block for advanced small-molecule drugs and specialty chemicals. Researchers are increasingly exploring its role in medicinal chemistry, particularly in designing enzyme inhibitors and bioactive intermediates.
The growing demand for fluorinated organic compounds in drug development has propelled interest in 749230-45-3. Fluorination often improves metabolic stability and membrane permeability, making this compound valuable for optimizing drug candidates. Recent studies highlight its utility in synthesizing kinase inhibitors, a hot topic in oncology research. Users searching for "fluorinated benzoic acid derivatives" or "CAS 749230-45-3 applications" will find this compound relevant to cutting-edge therapeutic strategies.
From a synthetic chemistry perspective, 3,4-Difluoro-5-hydroxybenzoic acid serves as a versatile intermediate. Its carboxylic acid functionality allows for easy derivatization via esterification or amide coupling, while the hydroxyl group enables further functionalization. These characteristics align with current trends in fragment-based drug design (FBDD), where modular scaffolds are prized. Laboratories focusing on high-throughput screening often catalog such compounds for structure-activity relationship (SAR) studies.
Environmental and regulatory considerations surrounding fluorinated compounds have also driven recent inquiries. While 749230-45-3 isn’t classified as hazardous under major chemical inventories, its eco-friendly synthesis methods are being investigated—a response to the pharmaceutical industry’s push toward green chemistry. This aligns with frequent searches like "sustainable fluorochemical production" and "benzoic acid derivative safety profiles."
Analytical characterization of 3,4-Difluoro-5-hydroxybenzoic acid typically involves HPLC purification, NMR spectroscopy, and mass spectrometry—techniques commonly queried by quality control specialists. The compound’s melting point and solubility data are critical for formulation scientists, another frequent search cohort. Suppliers often highlight these physicochemical properties to assist researchers in process optimization.
Emerging applications in material science further broaden the relevance of CAS 749230-45-3. Its potential as a monomer for high-performance polymers with enhanced thermal stability resonates with nanotechnology trends. Such interdisciplinary connections address search intent around "fluorinated aromatic monomers" and "specialty polymer precursors," demonstrating the compound’s versatility beyond life sciences.
In summary, 3,4-Difluoro-5-hydroxybenzoic acid represents a multifaceted tool for modern chemistry. Its dual functionality, combined with fluorine’s electronic effects, makes it indispensable for researchers tackling challenges in drug discovery, materials engineering, and synthetic methodology development. As the scientific community prioritizes targeted molecular design, this compound’s profile will continue to expand across peer-reviewed literature and industrial applications.
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