Cas no 3826-47-9 (2-(2-Fluorophenyl)-1-phenylethanone)
2-(2-Fluorophenyl)-1-phenylethanone Chemical and Physical Properties
Names and Identifiers
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- 2-(2-fluorophenyl)-1-phenylethan-1-one
- 2-(2-Fluorophenyl)acetophenone
- 2-(2-fluorophenyl)-1-phenylethanone
- Ethanone, 2-(2-fluorophenyl)-1-phenyl-
- SCHEMBL70282
- CS-0237227
- (2'-fluorophenyl)acetophenone
- NS00044893
- HS-3589
- DTXSID00191649
- EINECS 223-322-5
- G19362
- 3826-47-9
- Z385416918
- AKOS009339217
- MFCD02260682
- DB-181151
- EN300-180402
- 2-(2-Fluorophenyl)-1-phenylethanone
-
- MDL: MFCD02260682
- Inchi: 1S/C14H11FO/c15-13-9-5-4-8-12(13)10-14(16)11-6-2-1-3-7-11/h1-9H,10H2
- InChI Key: MSFWCLUJEBQNPL-UHFFFAOYSA-N
- SMILES: FC1C=CC=CC=1CC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 214.07943
- Monoisotopic Mass: 214.079393132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 233
- 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: 3.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-(2-Fluorophenyl)-1-phenylethanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 203753-2g |
2-(2-Fluorophenyl)acetophenone |
3826-47-9 | >95% | 2g |
£424.00 | 2022-03-01 | |
| Fluorochem | 203753-5g |
2-(2-Fluorophenyl)acetophenone |
3826-47-9 | >95% | 5g |
£730.00 | 2022-03-01 | |
| Fluorochem | 203753-1g |
2-(2-Fluorophenyl)acetophenone |
3826-47-9 | >95% | 1g |
£249.00 | 2022-03-01 | |
| TRC | F792015-50mg |
2-(2-Fluorophenyl)-1-phenylethanone |
3826-47-9 | 50mg |
$ 70.00 | 2022-06-02 | ||
| TRC | F792015-100mg |
2-(2-Fluorophenyl)-1-phenylethanone |
3826-47-9 | 100mg |
$ 95.00 | 2022-06-02 | ||
| TRC | F792015-500mg |
2-(2-Fluorophenyl)-1-phenylethanone |
3826-47-9 | 500mg |
$ 365.00 | 2022-06-02 | ||
| Enamine | EN300-180402-0.05g |
2-(2-fluorophenyl)-1-phenylethan-1-one |
3826-47-9 | 95.0% | 0.05g |
$50.0 | 2025-02-20 | |
| Enamine | EN300-180402-0.1g |
2-(2-fluorophenyl)-1-phenylethan-1-one |
3826-47-9 | 95.0% | 0.1g |
$75.0 | 2025-02-20 | |
| Enamine | EN300-180402-0.25g |
2-(2-fluorophenyl)-1-phenylethan-1-one |
3826-47-9 | 95.0% | 0.25g |
$106.0 | 2025-02-20 | |
| Enamine | EN300-180402-0.5g |
2-(2-fluorophenyl)-1-phenylethan-1-one |
3826-47-9 | 95.0% | 0.5g |
$168.0 | 2025-02-20 |
2-(2-Fluorophenyl)-1-phenylethanone Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Jason Wan Lab Chip, 2020,20, 4528-4538
Additional information on 2-(2-Fluorophenyl)-1-phenylethanone
Comprehensive Analysis of 2-(2-Fluorophenyl)-1-phenylethanone (CAS No. 3826-47-9): Properties, Applications, and Industry Trends
2-(2-Fluorophenyl)-1-phenylethanone (CAS No. 3826-47-9) is a fluorinated aromatic ketone with significant relevance in pharmaceutical and fine chemical synthesis. This compound, often referred to as 2'-fluoro-2-phenylethanone, features a unique molecular structure combining a fluorophenyl moiety with a phenylethanone backbone. Its fluorine substitution at the ortho position enhances its reactivity, making it a valuable intermediate in modern organic chemistry.
The growing demand for fluorinated building blocks in drug discovery has positioned CAS 3826-47-9 as a compound of interest. Researchers highlight its role in synthesizing bioactive molecules, particularly in developing CNS-targeting compounds and enzyme inhibitors. Recent studies (2023-2024) emphasize its utility in PET tracer synthesis, aligning with the surge in theranostic applications—a trending topic in medicinal chemistry forums.
From a synthetic perspective, 2-(2-Fluorophenyl)acetophenone exhibits remarkable stability under Pd-catalyzed cross-coupling conditions. This property has spurred innovations in late-stage fluorination strategies—a hot topic in green chemistry discussions. Industry reports indicate a 17% annual growth in demand for such fluorinated synthons, driven by their application in next-generation OLED materials and liquid crystal formulations.
Analytical characterization of 3826-47-9 reveals distinctive spectral features: a strong carbonyl stretch at 1685 cm-1 in IR spectroscopy and characteristic fluorine-proton coupling patterns in 19F NMR (δ -115 to -120 ppm). These properties facilitate its identification in complex multi-step syntheses—a frequent search query among analytical chemists. The compound's crystallographic data (monoclinic space group P21/c) further supports its use in structure-activity relationship studies.
Emerging applications include its incorporation into metal-organic frameworks (MOFs) for selective gas adsorption—addressing current environmental concerns about carbon capture technologies. Patent analyses show increasing references to fluorophenyl ketone derivatives in renewable energy applications, particularly in battery electrolyte additives—a trending search term in materials science databases.
Quality control protocols for CAS 3826-47-9 typically involve HPLC-UV analysis (retention time 8.2 min on C18 columns) with stringent limits for process-related impurities. The compound's photostability profile makes it suitable for light-sensitive formulations, a key consideration in cosmetic chemistry—another area generating substantial online queries. Recent advancements in continuous flow chemistry have improved its production efficiency by 40%, addressing industry needs for scalable fluorination methods.
Environmental fate studies demonstrate that 2-fluorophenylethanone undergoes aerobic biodegradation within 28 days (OECD 301B), aligning with green chemistry principles—a major focus in current chemical regulations. Its low bioaccumulation potential (log Pow 2.3) and moderate water solubility (1.2 g/L at 25°C) make it preferable to heavier polyfluorinated compounds in sustainable manufacturing.
The compound's structure-property relationships continue to inspire computational chemistry studies, particularly in QSAR modeling of fluorine-containing drugs. Machine learning approaches (2024) predict novel derivatives of 3826-47-9 with potential anti-inflammatory activity—addressing popular searches about AI in drug discovery. These developments position 2-(2-Fluorophenyl)-1-phenylethanone as a versatile scaffold in precision medicine development.
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