Cas no 863305-84-4 (1-5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-1-ethanone)
1-5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-1-ethanone Chemical and Physical Properties
Names and Identifiers
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- 1-(5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethanone
- 1-(5-Chloro-1-methyl-3-trifluoromethyl-1H-pyrazol- 4-yl)-ethanone
- 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
- MFCD04117795
- BPSZCXREHPDTAJ-UHFFFAOYSA-N
- 863305-84-4
- EN300-1930998
- AKOS005070100
- SCHEMBL8261356
- DTXSID801167207
- 1-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
- 2X-0704
- 1-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-ethanone
- 1-(5-Chloro-1-methyl-3-(trifluoromethyl)-1h-pyrazol-4-yl)ethan-1-one
- 1-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-one
- CS-0272054
- 1-5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-1-ethanone
-
- MDL: MFCD04117795
- Inchi: 1S/C7H6ClF3N2O/c1-3(14)4-5(7(9,10)11)12-13(2)6(4)8/h1-2H3
- InChI Key: BPSZCXREHPDTAJ-UHFFFAOYSA-N
- SMILES: ClC1=C(C(C)=O)C(C(F)(F)F)=NN1C
Computed Properties
- Exact Mass: 226.0120750Da
- Monoisotopic Mass: 226.0120750Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 246
- 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: 1.8
- Topological Polar Surface Area: 34.9?2
1-5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-1-ethanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C028065-50mg |
1-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-ethanone |
863305-84-4 | 50mg |
$ 195.00 | 2022-06-06 | ||
| TRC | C028065-100mg |
1-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-ethanone |
863305-84-4 | 100mg |
$ 315.00 | 2022-06-06 | ||
| Apollo Scientific | PC10213-500mg |
4-Acetyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole |
863305-84-4 | 95% | 500mg |
£301.00 | 2025-02-19 | |
| Apollo Scientific | PC10213-1g |
4-Acetyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole |
863305-84-4 | 95% | 1g |
£462.00 | 2025-02-19 | |
| Chemenu | CM526702-1g |
1-(5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethanone |
863305-84-4 | 95% | 1g |
$373 | 2022-03-01 | |
| abcr | AB158509-500 mg |
1-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-ethanone; . |
863305-84-4 | 500mg |
€397.80 | 2023-05-08 | ||
| abcr | AB158509-1 g |
1-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-ethanone; . |
863305-84-4 | 1g |
€587.80 | 2023-05-08 | ||
| Enamine | EN300-1930998-1g |
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-one |
863305-84-4 | 1g |
$371.0 | 2023-09-17 | ||
| Enamine | EN300-1930998-5g |
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-one |
863305-84-4 | 5g |
$1075.0 | 2023-09-17 | ||
| Enamine | EN300-1930998-10g |
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-one |
863305-84-4 | 10g |
$1593.0 | 2023-09-17 |
1-5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-1-ethanone Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
Additional information on 1-5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-1-ethanone
Comprehensive Overview of 1-5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-1-ethanone (CAS No. 863305-84-4)
The compound 1-5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-1-ethanone (CAS No. 863305-84-4) is a highly specialized chemical entity with significant applications in modern organic synthesis and pharmaceutical research. Its unique structural features, including the trifluoromethyl group and pyrazole ring, make it a valuable intermediate for developing bioactive molecules. Researchers and industry professionals frequently search for this compound due to its relevance in drug discovery, agrochemical formulations, and material science innovations.
In recent years, the demand for fluorinated pyrazole derivatives has surged, driven by their enhanced metabolic stability and lipophilicity in drug design. The presence of the chloro and trifluoromethyl substituents in this compound aligns with current trends favoring halogenated motifs in medicinal chemistry. Searches for "CAS 863305-84-4 suppliers" or "1-5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-1-ethanone synthesis" reflect growing interest in scalable production methods and cost-effective sourcing.
From a synthetic perspective, this compound serves as a versatile building block for constructing heterocyclic frameworks. Its pyrazole-4-yl-ethanone backbone is particularly useful in Pd-catalyzed cross-coupling reactions, a hotspot in catalytic chemistry. Online queries like "pyrazole derivatives in drug discovery" or "trifluoromethyl group applications" underscore its interdisciplinary importance. Analytical techniques such as NMR, HPLC, and LC-MS are commonly employed to characterize its purity, a topic frequently searched alongside "CAS 863305-84-4 analytical data."
Environmental and regulatory considerations are also pivotal. While not classified as hazardous, proper handling protocols for halogenated compounds are often queried (e.g., "safe storage of fluorinated pyrazoles"). The compound’s stability under various pH conditions and thermal profiles is another area of interest, particularly for formulation scientists searching for "compatibility of pyrazole derivatives with excipients."
Innovations in green chemistry have further spotlighted this compound. Researchers exploring "solvent-free synthesis of pyrazole ketones" or "catalytic reduction of halogenated intermediates" find 1-5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-1-ethanone a compelling case study. Its role in photoredox catalysis and flow chemistry—topics trending in AI-driven literature analysis—adds to its scientific appeal.
In summary, CAS 863305-84-4 exemplifies the convergence of synthetic utility and industrial demand. Its keyword-rich profile—from "pyrazole-based scaffolds" to "trifluoromethylated building blocks"—ensures visibility in both academic and commercial search engines, making this overview a timely resource for stakeholders across chemical sectors.
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