Cas no 1262005-90-2 (4-(4-Acetylphenyl)-3-fluorobenzoic acid)
4-(4-Acetylphenyl)-3-fluorobenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 4'-Acetyl-2-fluoro-[1,1'-biphenyl]-4-carboxylic acid
- 4-(4-acetylphenyl)-3-fluorobenzoic acid
- AKOS015888579
- BS-20404
- MFCD18320129
- 4'-Acetyl-2-fluoro[1,1'-biphenyl]-4-carboxylic acid
- CS-0209246
- [1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-2-fluoro-
- A889500
- 4'-Acetyl-2-fluoro-[1,1'-biphenyl]-4-carboxylicacid
- 1262005-90-2
- DTXSID00689773
- SCHEMBL2559215
- 4-(4-Acetylphenyl)-3-fluorobenzoic acid
-
- MDL: MFCD18320129
- Inchi: 1S/C15H11FO3/c1-9(17)10-2-4-11(5-3-10)13-7-6-12(15(18)19)8-14(13)16/h2-8H,1H3,(H,18,19)
- InChI Key: HAMFTJLXJVMHJX-UHFFFAOYSA-N
- SMILES: FC1C=C(C(=O)O)C=CC=1C1C=CC(C(C)=O)=CC=1
Computed Properties
- Exact Mass: 258.06900
- Monoisotopic Mass: 258.06922237g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 347
- 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: 2.9
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.3±0.1 g/cm3
- Boiling Point: 419.6±35.0 °C at 760 mmHg
- Flash Point: 207.6±25.9 °C
- PSA: 54.37000
- LogP: 3.39350
- Vapor Pressure: 0.0±1.0 mmHg at 25°C
4-(4-Acetylphenyl)-3-fluorobenzoic acid Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4-(4-Acetylphenyl)-3-fluorobenzoic acid Customs Data
- HS CODE:2918300090
- Customs Data:
China Customs Code:
2918300090Overview:
2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%
4-(4-Acetylphenyl)-3-fluorobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 212235-1g |
4'-Acetyl-2-fluoro-[1,1'-biphenyl]-4-carboxylic acid |
1262005-90-2 | 95% | 1g |
£100.00 | 2022-02-28 | |
| Fluorochem | 212235-5g |
4'-Acetyl-2-fluoro-[1,1'-biphenyl]-4-carboxylic acid |
1262005-90-2 | 95% | 5g |
£300.00 | 2022-02-28 | |
| Alichem | A019120053-10g |
4'-Acetyl-2-fluoro-[1,1'-biphenyl]-4-carboxylic acid |
1262005-90-2 | 95% | 10g |
415.29 USD | 2021-06-16 | |
| TRC | A188905-100mg |
4-(4-Acetylphenyl)-3-fluorobenzoic acid |
1262005-90-2 | 100mg |
$ 64.00 | 2023-04-19 | ||
| TRC | A188905-250mg |
4-(4-Acetylphenyl)-3-fluorobenzoic acid |
1262005-90-2 | 250mg |
$ 81.00 | 2023-04-19 | ||
| TRC | A188905-500mg |
4-(4-Acetylphenyl)-3-fluorobenzoic acid |
1262005-90-2 | 500mg |
$ 121.00 | 2023-04-19 | ||
| TRC | A188905-1g |
4-(4-Acetylphenyl)-3-fluorobenzoic acid |
1262005-90-2 | 1g |
$ 167.00 | 2023-04-19 | ||
| 1PlusChem | 1P000SSQ-1g |
[1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-2-fluoro- |
1262005-90-2 | 97% | 1g |
$81.00 | 2025-02-18 | |
| 1PlusChem | 1P000SSQ-5g |
[1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-2-fluoro- |
1262005-90-2 | 97% | 5g |
$356.00 | 2025-02-18 | |
| Ambeed | A170343-5g |
4'-Acetyl-2-fluoro-[1,1'-biphenyl]-4-carboxylic acid |
1262005-90-2 | 97% | 5g |
$198.0 | 2024-04-25 |
4-(4-Acetylphenyl)-3-fluorobenzoic acid Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
Additional information on 4-(4-Acetylphenyl)-3-fluorobenzoic acid
4-(4-Acetylphenyl)-3-fluorobenzoic Acid: A Comprehensive Overview
4-(4-Acetylphenyl)-3-fluorobenzoic acid, identified by the CAS number 1262005-90-2, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound, characterized by its unique structure, has garnered attention due to its potential applications in drug discovery and material science. Recent studies have shed light on its synthesis, properties, and biological activities, making it a focal point for researchers worldwide.
The molecular structure of 4-(4-Acetylphenyl)-3-fluorobenzoic acid comprises a benzoic acid moiety substituted with a fluorine atom at the 3-position and an acetylphenyl group at the 4-position. This arrangement imparts distinct electronic and steric properties to the molecule, influencing its reactivity and biological interactions. The presence of the acetyl group introduces electron-donating effects, while the fluorine atom contributes to both electron-withdrawing effects and increased lipophilicity. These characteristics make the compound a promising candidate for various chemical transformations and bioassays.
Recent advancements in synthetic methodologies have enabled efficient routes to prepare 4-(4-Acetylphenyl)-3-fluorobenzoic acid. Researchers have explored both traditional organic synthesis techniques and modern catalytic processes to optimize yield and purity. For instance, coupling reactions using palladium catalysts have been employed to construct the biaryl linkage between the benzoic acid and acetylphenyl groups. Additionally, fluorination strategies, including electrophilic substitution and nucleophilic aromatic substitution, have been refined to achieve precise control over the fluorine substitution pattern.
The biological activity of 4-(4-Acetylphenyl)-3-fluorobenzoic acid has been extensively investigated in recent studies. Preclinical data suggest that this compound exhibits potent anti-inflammatory and antioxidant properties, making it a potential candidate for treating conditions such as neurodegenerative diseases and cardiovascular disorders. Furthermore, its ability to modulate key signaling pathways involved in cancer progression has been highlighted in several research articles. For example, studies have demonstrated that this compound can inhibit the activity of certain kinases associated with tumor growth and metastasis.
In terms of applications, 4-(4-Acetylphenyl)-3-fluorobenzoic acid holds promise in the development of novel therapeutic agents. Its unique combination of chemical stability and bioactivity positions it as a valuable lead compound in drug discovery programs. Moreover, its structural versatility allows for further modification to enhance pharmacokinetic properties such as solubility and bioavailability.
From an environmental perspective, understanding the ecotoxicological profile of 4-(4-Acetylphenyl)-3-fluorobenzoic acid is crucial for ensuring sustainable practices in its production and use. Recent eco-friendly synthesis approaches, including green chemistry principles, have been implemented to minimize waste generation and reduce energy consumption during manufacturing processes.
In conclusion, 4-(4-Acetylphenyl)-3-fluorobenzoic acid, with its CAS number 1262005-90-2, represents a significant advancement in chemical innovation. Its diverse applications across multiple disciplines underscore its importance as a research subject for both academic and industrial settings. As ongoing studies continue to unravel its full potential, this compound is poised to play a pivotal role in shaping future developments in medicine and materials science.
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