Cas no 119197-25-0 (3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal)
3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetaldehyde, a-(1-chloro-2,2,2-trifluoroethylidene)-, (Z)-
- 3-CHLORO-4,4,4-TRIFLUORO-2-PHENYL-BUT-2-ENAL
- 3-CHLORO-3-TRIFLUOROMETHYL-2-PHENYLACROLEINE
- 3-CHLORO-3-TRIFLUOROMETHYL-2-PHENYL-PROPEN-2-AL
- 119197-25-0
- SCHEMBL1800739
- AS-9645
- Benzeneacetaldehyde, alpha-(1-chloro-2,2,2-trifluoroethylidene)-, (alphaZ)-
- (2Z)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enal
- 2-Phenyl-3-chloro-4,4,4-trifluoro-2-butenal
- (Z)-3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal
- (I+/-Z)-I+/--(1-Chloro-2,2,2-trifluoroethylidene)benzeneacetaldehyde
- FFGRIAPCGIYWJS-CMDGGOBGSA-N
- AKOS037648055
- DTXSID601179008
- 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal
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- Inchi: 1S/C10H6ClF3O/c11-9(10(12,13)14)8(6-15)7-4-2-1-3-5-7/h1-6H
- InChI Key: FFGRIAPCGIYWJS-UHFFFAOYSA-N
- SMILES: ClC(C(F)(F)F)=C(C=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 234.00598
- Monoisotopic Mass: 234.0059270g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 264
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal Security Information
- Hazard Category Code: 36/37/38
- Safety Instruction: 26-36/37/39
3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C115990-500mg |
3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal |
119197-25-0 | 500mg |
$ 645.00 | 2022-06-06 | ||
| TRC | C115990-1000mg |
3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal |
119197-25-0 | 1g |
$ 1075.00 | 2022-06-06 | ||
| TRC | C115990-2500mg |
3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal |
119197-25-0 | 2500mg |
$ 2145.00 | 2022-06-06 | ||
| Key Organics Ltd | AS-9645-1g |
(2Z)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enal |
119197-25-0 | >95% | 1g |
£117.00 | 2025-02-08 | |
| Key Organics Ltd | AS-9645-10g |
(2Z)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enal |
119197-25-0 | >95% | 10g |
£845.00 | 2025-02-08 | |
| Key Organics Ltd | AS-9645-5g |
(2Z)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enal |
119197-25-0 | >95% | 5g |
£468.00 | 2025-02-08 |
3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
Additional information on 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal
Comprehensive Overview of 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal (CAS No. 119197-25-0)
3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal is a specialized organic compound with significant applications in pharmaceutical and agrochemical research. Its unique molecular structure, featuring a chloro and trifluoromethyl group attached to a phenyl ring, makes it a valuable intermediate in synthetic chemistry. The compound's CAS No. 119197-25-0 serves as a critical identifier for researchers and manufacturers, ensuring precise communication in scientific literature and regulatory documentation.
In recent years, the demand for fluorinated compounds like 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal has surged due to their enhanced stability and bioavailability. This trend aligns with the growing interest in sustainable chemistry and green synthesis, as researchers seek eco-friendly methods to produce such molecules. The compound's enantioselective properties also make it a focal point in asymmetric catalysis, a hot topic in modern organic chemistry.
The synthesis of 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal often involves palladium-catalyzed cross-coupling or electrophilic halogenation reactions, which are frequently discussed in academic forums and patent filings. Its α,β-unsaturated carbonyl moiety is particularly noteworthy, as it enables diverse derivatization pathways for drug discovery. This versatility has led to its exploration in bioconjugation and proteomics, addressing current challenges in targeted drug delivery.
From an industrial perspective, CAS No. 119197-25-0 is often referenced in high-throughput screening libraries due to its potential as a pharmacophore scaffold. Analytical techniques such as HPLC-MS and NMR spectroscopy are routinely employed to characterize its purity, reflecting the compound's importance in quality-by-design (QbD) initiatives. These methodologies resonate with the pharmaceutical industry's emphasis on process optimization and regulatory compliance.
Environmental considerations surrounding halogenated compounds have also placed 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal under scrutiny. Researchers are investigating its biodegradation pathways and ecotoxicological profile, topics frequently searched in environmental chemistry databases. Such studies align with global efforts to develop benign-by-design chemicals, a principle gaining traction in circular economy models.
In summary, 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal exemplifies the intersection of structural complexity and functional utility in contemporary chemistry. Its CAS No. 119197-25-0 not only facilitates precise identification but also underscores its relevance in cutting-edge research areas like precision medicine and material science. As synthetic methodologies evolve, this compound will likely remain a subject of innovation and discovery.
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