Cas no 528867-43-8 (4-(Trifluoromethyl)benzenebutanal)
4-(Trifluoromethyl)benzenebutanal Chemical and Physical Properties
Names and Identifiers
-
- 4-(Trifluoromethyl)benzenebutanal
- 4-(Trifluoromethyl)b
- 4-[4-(Trifluoromethyl)phenyl]butanal
- DTXSID60734778
- AKOS013847053
- 528867-43-8
- 4-(4-(trifluoromethyl)phenyl)butanal
- XXXUUFJYLJTYPA-UHFFFAOYSA-N
- SCHEMBL3244845
- DB-294698
- 4-(4-Trifluoromethylphenyl)butyraldehyde
-
- Inchi: 1S/C11H11F3O/c12-11(13,14)10-6-4-9(5-7-10)3-1-2-8-15/h4-8H,1-3H2
- InChI Key: XXXUUFJYLJTYPA-UHFFFAOYSA-N
- SMILES: FC(C1C=CC(=CC=1)CCCC=O)(F)F
Computed Properties
- Exact Mass: 216.07600
- Monoisotopic Mass: 216.07619946g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 193
- 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: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 3.22700
4-(Trifluoromethyl)benzenebutanal Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T791080-100mg |
4-(Trifluoromethyl)benzenebutanal |
528867-43-8 | 100mg |
$196.00 | 2023-05-17 | ||
| TRC | T791080-1g |
4-(Trifluoromethyl)benzenebutanal |
528867-43-8 | 1g |
$1533.00 | 2023-05-17 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-391222-100 mg |
4-(Trifluoromethyl)benzenebutanal, |
528867-43-8 | 100MG |
¥2,708.00 | 2023-07-11 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-391222-100mg |
4-(Trifluoromethyl)benzenebutanal, |
528867-43-8 | 100mg |
¥2708.00 | 2023-09-05 |
4-(Trifluoromethyl)benzenebutanal Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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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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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
Additional information on 4-(Trifluoromethyl)benzenebutanal
Comprehensive Overview of 4-(Trifluoromethyl)benzenebutanal (CAS No. 528867-43-8): Properties, Applications, and Industry Insights
4-(Trifluoromethyl)benzenebutanal (CAS No. 528867-43-8) is a specialized organic compound featuring a trifluoromethyl group attached to a benzene ring, coupled with a butanal side chain. This unique structure grants it distinct chemical properties, making it valuable in pharmaceuticals, agrochemicals, and material science. The trifluoromethyl group enhances lipophilicity and metabolic stability, a feature highly sought after in drug discovery. Researchers often refer to it as 4-TFMBA or trifluoromethyl phenyl butyraldehyde in abbreviated forms.
The growing demand for fluorinated compounds in modern chemistry has placed 4-(Trifluoromethyl)benzenebutanal in the spotlight. Its applications span from serving as a key intermediate in synthesizing active pharmaceutical ingredients (APIs) to being a precursor for advanced materials. A trending topic in 2024 is the role of fluorinated building blocks in green chemistry, where this compound’s efficiency in reactions reduces waste and energy consumption. Users frequently search for "4-(Trifluoromethyl)benzenebutanal synthesis" or "CAS 528867-43-8 suppliers," reflecting its commercial and research relevance.
From a technical perspective, 4-(Trifluoromethyl)benzenebutanal exhibits moderate solubility in organic solvents like ethanol and dichloromethane, while its boiling point and melting point are critical for purification processes. Analytical techniques such as HPLC and NMR are commonly employed for quality control. The compound’s molecular weight (218.19 g/mol) and structural formula (C11H11F3O) are frequently cited in patent literature, particularly in innovations related to heterocyclic chemistry.
In the pharmaceutical sector, 4-(Trifluoromethyl)benzenebutanal is pivotal in designing kinase inhibitors and anti-inflammatory agents. Recent studies highlight its utility in cancer research, aligning with the surge in searches for "fluorinated anticancer compounds." Additionally, its role in crop protection chemicals addresses the agrochemical industry’s need for environmentally friendly pesticides, a hot topic amid global food security debates.
For manufacturers and suppliers, optimizing the cost-effective production of CAS 528867-43-8 remains a priority. Discussions on platforms like LinkedIn often revolve around scalable synthetic routes or regulatory compliance for fluorinated intermediates. The compound’s storage conditions (typically 2–8°C under inert gas) and shelf life are also common queries in procurement circles.
Looking ahead, 4-(Trifluoromethyl)benzenebutanal is poised to play a critical role in precision medicine and sustainable agriculture. Its compatibility with catalyzed cross-coupling reactions (e.g., Suzuki-Miyaura) further broadens its utility. As industries pivot toward bio-based solvents and circular economy models, this compound’s adaptability ensures its enduring relevance.
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